SCHEMBL15381663

SCHEMBL15381663

CCOc1ccc(C2=CCC(C(=O)Oc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 14/20 0.37
▸ CCNT1 O60563 13/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 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
SCHEMBL11933388 0.95 CDK9 (0.38) CDK9CCNT1L3MBTL1PDE5AHDAC1
SCHEMBL15381760 0.95 CDK9 (0.35) CDK9CCNT1L3MBTL1PDE5AHDAC1
SCHEMBL11938888 0.93 FFAR4 (0.34) CDK9CCNT1L3MBTL1PDE5AHDAC1
SCHEMBL11939277 0.91 CDK9 (0.33) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933389 0.89 CDK9 (0.37) CDK9CCNT1L3MBTL1
SCHEMBL11933390 0.89 CDK9 (0.37) CDK9CCNT1L3MBTL1
SCHEMBL15381543 0.89 CDK9 (0.39) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381568 0.86 PDE5A (0.40) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381714 0.85 CDK9 (0.36) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381758 0.85 CDK9 (0.36) CDK9CCNT1PDE5AHDAC1HDAC6

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
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