SCHEMBL776296

SCHEMBL776296

C=CC(SC(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL776368 0.85 CYP2C19 (0.36) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL9068192 0.83 ALDH1A1 (0.42) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL776369 0.81 CYP2C19 (0.34) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL7206079 0.81 LMNA (0.35) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL9112613 0.79 KDM4E (0.33) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL8724309 0.79 CYP2C19 (0.36) CYP2C19TDP1LMNA
SCHEMBL5854060 0.76 IDO1 (0.40) ALOX15MAPTTSHRTDP1LMNA
SCHEMBL6888751 0.76 TSHR (0.38) CYP2C19CYP3A4ALOX15KDM4EMAPT
SCHEMBL9067882 0.75 CYP2C19 (0.36) CYP2C19LMNA
SCHEMBL2146152 0.74 CYP2C19 (0.37) CYP2C19CYP3A4ALOX15KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101606106-B Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO 2012-10-17 CN claimed
CN-101606106-A Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO (JP) 2009-12-16 CN claimed
EP-0609061-B1 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORP (JP) 1999-09-29 EP claimed
US-5475074-A Copolamerizable monomers containing vinyl benzyl compound, 2,4-diphenyl-4-methyl-1-pentene and an acrylic momomer; also contains mercapto, hindered phenol and azo compounds; high refractive index, heat and radiation resistance TOKUYAMA CORPORATION (JP) 1995-12-12 US claimed
EP-0609061-A2 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORPORATION (JP) 1994-08-03 EP claimed
EP-0202054-B1 PRODUCTION OF S-ARYL S-ALKYL DITHIOCARBONATES, ARENETHIOLS AND ARYTHIOETHERS COURTAULDS PLC (GB) 1990-07-25 EP claimed
EP-0202054-A1 Production of S-aryl S-alkyl dithiocarbonates, arenethiols and arythioethers COURTAULDS PLC (GB) 1986-11-20 EP claimed
JP-3184950-A None JP disclosed
CN-114945547-B Dihydroxylation of olefins using osmium salts (VI) 国际香料和香精公司 2025-06-17 CN disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-117720447-A Method for synthesizing 1,3-N, S compound by rhodium catalysis 华南理工大学 2024-03-19 CN disclosed
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
CN-110366449-B Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction 国立大学法人九州大学 2022-10-21 CN disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
US-4566876-A COLORFAST SHADES OF BLUE AND BROWN CLAIROL INCORPORATED (US) 1986-01-28 US disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed
US-3933813-A Process for the production of mercaptoethyl containing compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-01-20 US disclosed