SCHEMBL12924336

SCHEMBL12924336

COc1cccc(-c2cc3c(s2)-c2ccc4c5c(ccc-3c25)-c2sc(-c3cccc(F)c3)cc2-4)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HSD17B1 P14061 3/20 0.38
▸ HSD17B2 P37059 3/20 0.38
▸ F2RL3 Q96RI0 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ TUBB4A P04350 1/20 0.37

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
SCHEMBL12924308 0.88 HSD17B1 (0.46) HSD17B1HSD17B2KDM4E
SCHEMBL14707317 0.84 HDAC6 (0.34) HDAC6NFE2L2IKBKBPTPN1PTGS1
SCHEMBL12924351 0.79 NR3C1 (0.43) HSD17B1HSD17B2KDM4EALDH1A1HPGD
SCHEMBL15624598 0.75 NFE2L2 (0.59) NFE2L2PTGS1MAOBKDM4EALDH1A1
SCHEMBL12924253 0.74 ESR1 (0.42) HDAC6IKBKBPTPN1HSD17B1HSD17B2
SCHEMBL12924324 0.74 ESR1 (0.42) HDAC6IKBKBPTPN1HSD17B1HSD17B2
SCHEMBL12924306 0.74 HSD17B1 (0.50) IKBKBHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL12924272 0.74 HSD17B1 (0.50) IKBKBHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL11520185 0.74 HSD17B1 (0.56) HDAC6IKBKBPTPN1HSD17B1HSD17B2
SCHEMBL12924310 0.71 HSD17B1 (0.47) IKBKBHSD17B1HSD17B2ALDH1A1LMNA

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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