SCHEMBL14922503

SCHEMBL14922503

CCOc1ccc(C2=CCC(c3ccc(C4CCC(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL14922513 0.97 FPR2 (0.32) FPR2CCNT1CDK9KDM1A
SCHEMBL15381665 0.96 FPR2 (0.34) FPR2CCNT1CDK9KDM1A
SCHEMBL15381677 0.96 FPR2 (0.34) FPR2CCNT1CDK9KDM1A
SCHEMBL12196634 0.94 CCNT1 (0.30) CCNT1CDK9
SCHEMBL14922597 0.94 HTR2C (0.33) FPR2
SCHEMBL14922502 0.94 HTR2C (0.33) FPR2
SCHEMBL12196607 0.94 CCNT1 (0.30) CCNT1CDK9
SCHEMBL14922600 0.93 SCN9A (0.34) FPR2
SCHEMBL14922592 0.93 SCN9A (0.34) FPR2
SCHEMBL14922572 0.93 FEN1 (0.34)

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed