SCHEMBL15865895

SCHEMBL15865895

Cc1cc(NCc2ccc(OC(C)C)cc2)c(-c2ccc3c(cnn3C)c2)cc1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.50
KDM4C Q9H3R0 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
IDH1 O75874 2/20 0.38
PLA2G4A P47712 1/20 0.38
P2RX3 P56373 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
CACNA1H O95180 1/20 0.35
NOTUM Q6P988 1/20 0.35
FFAR1 O14842 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL14968687 0.91 AR (0.52) ARCCNCCDK8KDM4ECACNA1H
SCHEMBL14968698 0.90 AR (0.53) ARFFAR4CCNCCDK8S1PR1
SCHEMBL14968683 0.90 AR (0.51) ARFFAR4PLA2G4ACCNCCDK8
SCHEMBL14968682 0.90 AR (0.52) ARIDH1CCNCCDK8
SCHEMBL15865898 0.84 AR (0.52) ARFFAR4PLA2G4AFFAR1
SCHEMBL14313623 0.84 AR (0.46) ARCCNCCDK8NOTUM
SCHEMBL1011507 0.77 CCNC (0.46) ARCCNCCDK8NOTUM
SCHEMBL14291842 0.76 FAAH (0.45) ARCCNCCDK8
SCHEMBL1014398 0.76 CCNC (0.43) ARFFAR4CCNCCDK8CACNA1H
SCHEMBL1013404 0.75 AR (0.42) ARCCNCCDK8CACNA1HNOTUM

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-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed