SCHEMBL9653127

SCHEMBL9653127

OSc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ ALOX5 P09917 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL15291280 0.87 CYP3A4 (0.39) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL28855964 0.79 APP (0.46) ALOX15HSD17B10TDP1LCKALOX5
SCHEMBL9360230 0.78 MCL1 (0.48) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL1818017 0.77 CYP1A2 (0.50) CYP3A4HSD17B10TDP1ALOX5CYP1A2
SCHEMBL24474139 0.73 KDM4E (0.42) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL9361475 0.73 EPHX1 (0.43) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL9361517 0.73 SLC6A4 (0.40) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL9365248 0.72 CA2 (0.46) CYP3A4ALOX15HIF1AHSD17B10TSHR
SCHEMBL8312829 0.71 CYP1A2 (0.64) ALOX15HSD17B10TDP1CYP1A2KDM4E
SCHEMBL31255814 0.71 LCK (0.43) CYP3A4ALOX15HIF1AHSD17B10TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168277-B2 POLY(ORTHOESTER)POLYMERS CONTAINING PENDANT ACID FUNCTIONALITIES AND LABILE BACKBONE BONDS Merck & Co., Inc. (US) 1992-12-30 — — EP claimed
EP-0168277-B1 Poly(orthoester)polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO. INC. (US) 1990-08-01 — — EP claimed
US-4765973-A Polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO., INC. (US) 1988-08-23 — — US claimed
EP-0168277-A1 Poly(orthoester)polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO. INC. (US) 1986-01-15 — — EP claimed
EP-0168277-B2 POLY(ORTHOESTER)POLYMERS CONTAINING PENDANT ACID FUNCTIONALITIES AND LABILE BACKBONE BONDS Merck & Co., Inc. (US) 1992-12-30 — — EP disclosed
EP-0168277-B1 Poly(orthoester)polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO. INC. (US) 1990-08-01 — — EP disclosed
US-4765973-A Polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO., INC. (US) 1988-08-23 — — US disclosed
US-4639366-A Polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO., INC. (US) 1987-01-27 — — US disclosed
EP-0168277-A1 Poly(orthoester)polymers containing pendant acid functionalities and labile backbone bonds MERCK & CO. INC. (US) 1986-01-15 — — EP disclosed
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