SCHEMBL13586263

SCHEMBL13586263

CCOc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 13/20 0.37
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ SRD5A2 P31213 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL13586396 0.95 FFAR4 (0.40) FFAR4ALOX5APFEN1CCNCCDK8
SCHEMBL13586248 0.92 FFAR4 (0.34) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12741618 0.90 ALOX5AP (0.36) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12822979 0.90 GYS1 (0.36) FFAR4ALOX5APFEN1
SCHEMBL12719412 0.90 CCNC (0.39) FFAR4ALOX5APFEN1SRD5A2CCNC
SCHEMBL14767150 0.90 SSTR5 (0.36) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12741599 0.90 ALOX5AP (0.36) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12741616 0.90 ALOX5AP (0.36) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12719292 0.90 ALOX5AP (0.38) FFAR4ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL12823302 0.89 FFAR4 (0.34) FFAR4ALOX5APFEN1

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
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