SCHEMBL8939271

SCHEMBL8939271

CCCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(OCCCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
ESR1 P03372 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8939277 0.98 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL8939274 0.98 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL8932708 0.97 CCNT1 (0.37) CCNT1CDK9ESR1NPC1CASP3
SCHEMBL8939261 0.93 CCNT1 (0.41) CCNT1CDK9ESR1
SCHEMBL11026629 0.92 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL11023774 0.91 CCNT1 (0.37) CCNT1CDK9ESR1
SCHEMBL14766771 0.91 CCNT1 (0.33) CCNT1CDK9
SCHEMBL11025772 0.89 NAAA (0.38) CCNT1CDK9ESR1NPC1CASP3
SCHEMBL14766480 0.88 CCNT1 (0.33) CCNT1CDK9ESR1
SCHEMBL14766981 0.88 CCNT1 (0.33) CCNT1CDK9

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-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
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