SCHEMBL12836802

SCHEMBL12836802

CCOc1ccc(-c2ccc(C3=CCC(COc4ccc(OC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.35
CDK9 P50750 15/20 0.35
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.32

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
SCHEMBL12836505 1.00 CCNT1 (0.35) CCNT1CDK9SGPL1S1PR1KDM4E
SCHEMBL15381643 0.95 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11933336 0.90 CCNT1 (0.32) CCNT1CDK9
SCHEMBL15381762 0.90 HTR2C (0.32) CCNT1CDK9
SCHEMBL15381639 0.90 HTR2C (0.32) CCNT1CDK9
SCHEMBL11933191 0.90 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11939180 0.89 ESR2 (0.33) CCNT1CDK9
SCHEMBL15381645 0.89 L3MBTL1 (0.32)
SCHEMBL11938872 0.89 ESR2 (0.33) CCNT1CDK9
SCHEMBL15381516 0.89 L3MBTL1 (0.32)

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
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 WO disclosed