SCHEMBL11942224

SCHEMBL11942224

CCCC(O)c1ccc(C2=CCC(C(=O)Oc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 9/20 0.34
▸ CCNT1 O60563 8/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HPGD P15428 3/20 0.31

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
SCHEMBL11939248 0.93 CCNT1 (0.36) CDK9CCNT1
SCHEMBL11939091 0.93 CCNT1 (0.36) CDK9CCNT1
SCHEMBL11939183 0.93 CDK9 (0.34) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939087 0.93 CDK9 (0.34) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939017 0.91 PDE5A (0.37) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939967 0.91 PDE5A (0.33) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939277 0.91 CDK9 (0.33) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939189 0.91 PDE5A (0.33) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL12222910 0.91 HPGD (0.32) HPGD
SCHEMBL11939367 0.90 CDK9 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP disclosed
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
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