SCHEMBL2028309

SCHEMBL2028309

COc1cc(OC)c(P)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CYP1A2 P05177 8/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ CYP1A1 P04798 7/20 0.43
▸ CYP1B1 Q16678 7/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL6271569 0.87 CYP3A4 (0.52) ALDH1A1CYP1A2CYP3A4CYP1A1CYP1B1
Imidazole SCHEMBL28210381 0.78 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA7
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL27902994 0.76 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP1A1CYP1B1
SCHEMBL27526108 0.75 LTA4H (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL862161 0.74 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL686849 0.74 CYP1A2 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL2093672 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL5269881 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL12581396 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673452-A1 PHOTOBASES TECHNISCHE UNIVERSITÄT WIEN (AT) 2026-01-07 — — EP claimed
CN-114829927-B Materials and methods for mass spectrometry protein analysis 詹森生物科技公司 2024-11-29 — — CN claimed
WO-2024180096-A1 PHOTOBASES TECHNISCHE UNIVERSITÄT WIEN (AT) 2024-09-06 — — WO claimed
US-11949136-B2 PH-gradient-enabled microscale bipolar interfaces for direct liquid-fuel/oxidant fuel cells WASHINGTON UNIVERSITY (US) 2024-04-02 — — US claimed
CN-117327007-A VT107 preparation method 上海陶术生物科技有限公司 2024-01-02 — — CN claimed
CN-117229482-A N-type polymer semiconductor material containing acenaphthoquinone imide and preparation method and application thereof 湘潭大学 2023-12-15 — — CN claimed
US-11616246-B2 Microscale-bipolar-interface-enabled pH gradients in electrochemical devices WASHINGTON UNIVERSITY (US) 2023-03-28 — — US claimed
CN-112679292-B Synthesis method of secondary sulfonamide compound 复旦大学 2022-05-20 — — CN claimed
CN-114478632-A Spiro-dihydrobenzothiole diphosphine compound, and preparation method and application thereof 中国科学院上海有机化学研究所 2022-05-13 — — CN claimed
CN-112079865-B Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof 中国科学院上海有机化学研究所 2022-03-01 — — CN claimed
CN-106215701-A A kind of crosslinking hollow fiber anion-exchange membrane and preparation method thereof 林小城 2016-12-14 — — CN claimed
CN-102421743-B Use heterogeneous catalysis to be prepared the method for vinyl esters by acetylene and carboxylic acid CELANESE INTERNATIONAL CORP. (US) 2016-05-04 — — CN claimed
CN-102459292-B The preparation of metal complexes Johnson Matthey Public Co.,Ltd. (GB) 2015-11-25 — — CN claimed
CN-104974128-A Method for preparing cyclic carbonate by using supported quaternary phosphonium salt catalyst UNIV DALIAN TECH 2015-10-14 — — CN claimed
CN-102449840-B The ionomer of high alka and film and comprise the anion/hydroxide exchange fuel of this ionomer and film THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-16 — — CN claimed
CN-103012241-B Polysubstitution indole, synthesis method for same and synthesis application of polysubstitution indole to indomethacin SHANGHAI INST ORGANIC CHEM 2015-07-08 — — CN claimed
CN-102675186-B Indol and eight-membered ring diene compound, synthetic method and application thereof in iprindole synthesis SHANGHAI INST ORGANIC CHEM 2014-11-12 — — CN claimed
CN-103087110-A Saw horse carbonyl ruthenium compound and preparation method thereof UNIV SHAANXI NORMAL 2013-05-08 — — CN claimed
CN-103012241-A Polysubstitution indole, synthesis method for same and synthesis application of polysubstitution indole to indomethacin SHANGHAI INST ORGANIC CHEM 2013-04-03 — — CN claimed
CN-102675186-A Indol and eight-membered ring diene compound, synthetic method and application thereof in iprindole synthesis SHANGHAI INST ORGANIC CHEM 2012-09-19 — — CN claimed
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