SCHEMBL14922650

SCHEMBL14922650

CCOc1ccc(C2=CCC(OC(=O)C3CCC(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.33
▸ CDK9 P50750 4/20 0.33
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ FPR2 P25090 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
SCHEMBL14922569 0.96 FPR2 (0.31) CCNT1CDK9FPR2
SCHEMBL12197195 0.96 CCNT1 (0.32) CCNT1CDK9GLA
SCHEMBL12197334 0.96 CCNT1 (0.32) CCNT1CDK9GLA
SCHEMBL12224653 0.93 — —
SCHEMBL12197325 0.93 CTSL (0.34) —
SCHEMBL12224672 0.93 — —
SCHEMBL14922604 0.91 CDK9 (0.37) CCNT1CDK9
SCHEMBL14922682 0.90 CCNT1 (0.32) CCNT1CDK9HPGDSMN1; SMN2GLA
SCHEMBL14922602 0.90 CCNT1 (0.32) CCNT1CDK9HPGDSMN1; SMN2GLA
SCHEMBL12197343 0.89 SCN9A (0.31) 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 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
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