SCHEMBL12924348

SCHEMBL12924348

c1ccc2cc(-c3cc4c(s3)-c3ccc5c6c(ccc-4c36)-c3cc(-c4ccc6ccccc6c4)sc3-5)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.42
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ HSD17B1 P14061 3/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SNCA P37840 1/20 0.37
▸ HSD17B2 P37059 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ AR P10275 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL12924247 1.00 GSTP1 (0.42) GSTP1ESR1ESR2HSD17B1ALOX5
SCHEMBL12924224 0.97 GSTP1 (0.40) GSTP1ESR1ESR2HSD17B1ALOX5
SCHEMBL12924310 0.81 HSD17B1 (0.47) ESR1ESR2HSD17B1CYP1A2MAPT
SCHEMBL12924272 0.80 HSD17B1 (0.50) ESR1ESR2HSD17B1CYP1A2MAPT
SCHEMBL12924306 0.80 HSD17B1 (0.50) ESR1ESR2HSD17B1CYP1A2MAPT
SCHEMBL22823638 0.78 GSTP1 (0.52) GSTP1ESR1ESR2HSD17B1ALOX5
SCHEMBL12924238 0.77 HSD17B1 (0.47) ESR1ESR2HSD17B1CYP1A2MAPT
SCHEMBL11525407 0.75 HSD17B1 (0.61) GSTP1ESR1ESR2HSD17B1ALOX5
SCHEMBL12924273 0.74 PTP4A3 (0.44) ESR1ESR2HSD17B1ALOX5HSD17B2
SCHEMBL12924324 0.74 ESR1 (0.42) ESR1ESR2HSD17B1CYP1A2MAPT

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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