Sugi Predict

Sugi Predict / Compounds / SCHEMBL8936825

SCHEMBL8936825

SCHEMBL8936825

C/C=C/C1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ S1PR1 P21453 4/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ RARB P10826 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
SCHEMBL8936745 0.97 RARB (0.31) CCNT1CDK9PPARDALOX5APFEN1
SCHEMBL8936819 0.96 RARB (0.33) PPARDALOX5APFEN1S1PR1S1PR3
SCHEMBL8936814 0.96 RARB (0.33) PPARDALOX5APFEN1S1PR1S1PR3
SCHEMBL8936787 0.96 RARB (0.33) PPARDALOX5APFEN1S1PR1S1PR3
SCHEMBL8936866 0.96 RARB (0.33) PPARDALOX5APFEN1S1PR1S1PR3
SCHEMBL8936786 0.95 GABRA1 (0.32) CCNT1CDK9ALOX5APFEN1
SCHEMBL8938050 0.94 S1PR1 (0.34) CCNT1CDK9S1PR1RARB
SCHEMBL8936770 0.92 NAAA (0.33) —
SCHEMBL8964692 0.91 CCNT1 (0.31) CCNT1CDK9
SCHEMBL8939207 0.91 CNR1 (0.30) —

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