SCHEMBL10453709

SCHEMBL10453709

Cc1ccc(-c2c(I)cc(O)c3cc(O)c(C)cc23)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL9721269 0.75 SENP1 (0.36) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL9721390 0.71 TLR8 (0.43) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL9721271 0.70 APP (0.48) KDM4EALDH1A1MAPTHPGDTRPA1
SCHEMBL9721316 0.70 ERN1 (0.39) CASP1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7873560 0.70 KDM4E (0.50) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL47861 0.70 TSHR (0.56) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL26437113 0.68 CYP1A2 (0.55) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL31344493 0.67 HSD17B1 (0.59) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL31212445 0.67 HSD17B1 (0.59) TSHRCASP1KDM4EALDH1A1CYP1A2
SCHEMBL9721292 0.66 HSD17B1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO claimed
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