SCHEMBL12924307

SCHEMBL12924307

Cc1ccc(-c2cc3c(s2)-c2ccc4c5c(ccc-3c25)-c2cc(-c3ccc(C)cc3)sc2-4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.42
▸ ESR2 Q92731 5/20 0.42
▸ MAPT P10636 2/20 0.36
▸ SNCA P37840 1/20 0.36
▸ PTP4A3 O75365 2/20 0.36
▸ HSD17B1 P14061 5/20 0.35
▸ HSD17B2 P37059 4/20 0.35
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ PTP4A2 Q12974 1/20 0.31
▸ PTP4A1 Q93096 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL12924298 1.00 ESR1 (0.42) ESR1ESR2MAPTSNCAPTP4A3
SCHEMBL12924273 0.92 PTP4A3 (0.44) ESR1ESR2PTP4A3HSD17B1HSD17B2
SCHEMBL16546086 0.86 PTP4A3 (0.42) ESR1ESR2MAPTSNCAPTP4A3
SCHEMBL12924250 0.85 HSD17B1 (0.35) ESR1ESR2MAPTSNCAHSD17B1
SCHEMBL12924316 0.85 HSD17B1 (0.35) ESR1ESR2MAPTSNCAHSD17B1
SCHEMBL12924254 0.83 NPC1 (0.45) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL12924319 0.83 NPC1 (0.45) MAPTKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL12924376 0.82 MAPK14 (0.32) ESR1ESR2MAPT
SCHEMBL12924253 0.81 ESR1 (0.42) ESR1ESR2MAPTSNCAHSD17B1
SCHEMBL12924324 0.81 ESR1 (0.42) ESR1ESR2MAPTSNCAHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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