SCHEMBL12924414

SCHEMBL12924414

CCCOc1ccc(-c2sc(-c3ccc(OCCC)cc3)c3c2-c2ccc4c5c(ccc-3c25)-c2c(-c3ccc(C)cc3)sc(-c3ccc(C)cc3)c2-4)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ THRB P10828 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ ATP4A P20648 2/20 0.37
▸ ATP4B P51164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP19A1 P11511 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
SCHEMBL12924417 0.81 KDM4E (0.40) SMN1; SMN2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL12924254 0.79 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12924319 0.79 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL2494388 0.78 CYP3A4 (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL255419 0.76 DRD2 (0.57) MAPTL3MBTL1THRBDRD2DRD4
SCHEMBL13228237 0.74 PTGS2 (0.57) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL11547638 0.74 DRD2 (0.55) MAPTL3MBTL1THRBDRD2DRD4
SCHEMBL12924385 0.73 ALOX5 (0.38) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12379572 0.71 LMNA (0.38) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12997517 0.70 LTA4H (0.68) MAPTL3MBTL1ALDH1A1THRBDRD2

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 2 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-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
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