SCHEMBL12132274

SCHEMBL12132274

CCCCOc1ccc2c(c1)c1cc(OCCCC)ccc1n2-c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.45
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP2C19 P33261 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38

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
SCHEMBL12132286 0.93 CASR (0.40) CASRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12133574 0.85 CASR (0.41) CASRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12132279 0.81 ADORA3 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12132277 0.80 CYP1A1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14330057 0.80 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12133614 0.80 CASR (0.37) CASRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12132281 0.79 PIK3CA (0.40) NPC1RAB9AALDH1A1L3MBTL1CYP1A2
SCHEMBL12132283 0.78 ICMT (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL12132275 0.78 CNR2 (0.41) —
SCHEMBL15026022 0.77 CYP1A1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
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