SCHEMBL8963596

SCHEMBL8963596

CCCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(CCC)CC5)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PPARD Q03181 2/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL8963693 0.97 PPARD (0.32) CCNT1CDK9PPARD
SCHEMBL8963857 0.96 RARB (0.32) CCNT1CDK9PPARD
SCHEMBL8963829 0.96 RARB (0.32) CCNT1CDK9PPARD
SCHEMBL8963839 0.96 RARB (0.32) CCNT1CDK9PPARD
SCHEMBL8963818 0.96 RARB (0.32) CCNT1CDK9PPARD
SCHEMBL8964057 0.96 CCNT1 (0.32) CCNT1CDK9PPARD
SCHEMBL8963651 0.95 CCNT1 (0.32) CCNT1CDK9NPC1CASP3RAB9A
SCHEMBL8964207 0.95 CCNT1 (0.32) CCNT1CDK9PPARD
SCHEMBL8964076 0.94 PPARD (0.32) CCNT1CDK9PPARD
SCHEMBL8965520 0.94 S1PR1 (0.33) CCNT1CDK9PPARD

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed