SCHEMBL12924238

SCHEMBL12924238

c1ccc(-c2cc3c(s2)-c2ccc4c5c(ccc-3c25)-c2ccccc2-4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.47
▸ PTP4A3 O75365 2/20 0.46
▸ PTP4A2 Q12974 1/20 0.44
▸ PTP4A1 Q93096 1/20 0.44
▸ ESR1 P03372 6/20 0.43
▸ HSD17B2 P37059 3/20 0.42
▸ ESR2 Q92731 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ ATM Q13315 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35

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
SCHEMBL12924306 0.96 HSD17B1 (0.50) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924272 0.96 HSD17B1 (0.50) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924310 0.93 HSD17B1 (0.47) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924277 0.86 HSD17B1 (0.44) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924273 0.85 PTP4A3 (0.44) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924255 0.84 ESR1 (0.43) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12854109 0.82 HSD17B1 (0.56) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL16546085 0.82 PTP4A3 (0.55) HSD17B1PTP4A3PTP4A2PTP4A1ESR1
SCHEMBL12924224 0.82 GSTP1 (0.40) HSD17B1ESR1HSD17B2ESR2ALDH1A1
SCHEMBL12924308 0.81 HSD17B1 (0.46) HSD17B1PTP4A3PTP4A2PTP4A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259355-B1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS INC (JP) 2013-02-20 — — EP disclosed
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 — — US disclosed
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 — — US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
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