SCHEMBL8052200

SCHEMBL8052200

CCCc1ccc(-c2ccccc2-c2ncc(CCC)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AGTR1 P30556 5/20 0.41
▸ AGTR2 P50052 4/20 0.41
▸ RARB P10826 1/20 0.39
▸ BRS3 P32247 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ GP6 Q9HCN6 1/20 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
SCHEMBL7911246 0.89 MEN1 (0.42) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL10922359 0.88 MAPT (0.58) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL8029291 0.84 MAOB (0.47) RAB9ANPC1MAPT
SCHEMBL10501532 0.82 RAB9A (0.54) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL8217323 0.82 RAB9A (0.52) RAB9ASMN1; SMN2NPC1HSD17B10KDM4E
SCHEMBL7907395 0.82 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL7914073 0.80 RARB (0.44) RAB9ASMN1; SMN2NPC1HSD17B10KDM4E
SCHEMBL29993202 0.80 HSD11B1 (0.47) RAB9ASMN1; SMN2NPC1HSD17B10KDM4E
SCHEMBL12844299 0.79 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1TP53HSD17B10
SCHEMBL8039966 0.79 RARB (0.49) RAB9ASMN1; SMN2NPC1HSD17B10KDM4E

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
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 — — EP disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 — — EP disclosed
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