SCHEMBL9475744

SCHEMBL9475744

CCCCCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=CF)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
CYP2C9 P11712 3/20 0.42
S1PR3 Q99500 1/20 0.40
NR5A1 Q13285 1/20 0.39
CRBN Q96SW2 1/20 0.39
LTA4H P09960 2/20 0.38
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 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
SCHEMBL9475735 1.00 RAB9A (0.44) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9475740 1.00 RAB9A (0.44) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9477425 0.99 RAB9A (0.44) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9477431 0.99 RAB9A (0.44) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9477438 0.99 RAB9A (0.44) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9477292 0.97 RAB9A (0.46) RAB9ALMNAHRH3CYP2C9CRBN
SCHEMBL9477306 0.97 RAB9A (0.46) RAB9ALMNAHRH3CYP2C9CRBN
SCHEMBL9477281 0.97 RAB9A (0.46) RAB9ALMNAHRH3CYP2C9CRBN
SCHEMBL9478378 0.96 RAB9A (0.47) RAB9ALMNAHRH3CYP2C9S1PR3
SCHEMBL9478370 0.96 RAB9A (0.47) RAB9ALMNAHRH3CYP2C9S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed