SCHEMBL13586278

SCHEMBL13586278

CCC1CCC(c2ccc(-c3ccc(/C=C/c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
DGAT1 O75907 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
SCHEMBL13586207 0.92 BRD4 (0.32) BRD4
SCHEMBL12716212 0.88
SCHEMBL9020647 0.86 ALDH1A1 (0.34)
SCHEMBL13586344 0.86 ALOX5AP (0.32) BRD4
SCHEMBL12823124 0.85 NFE2L2 (0.31)
SCHEMBL12823690 0.85 KCNA3 (0.32) BRD4
SCHEMBL13586279 0.85 BRD4 (0.31) BRD4
SCHEMBL13586370 0.85 BRD4 (0.33) BRD4
SCHEMBL13586355 0.84 BRD4 (0.32) BRD4
SCHEMBL12822857 0.84 BRD4 (0.37) BRD4DGAT1

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed