SCHEMBL15865898

SCHEMBL15865898

COc1cccc(CNc2cc(C)c(CCC(=O)O)cc2-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR1 O14842 7/20 0.40
FFAR4 Q5NUL3 3/20 0.40
ACP1 P24666 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G4A P47712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LMNA P02545 1/20 0.38
TGFBR1 P36897 1/20 0.38

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) ARPPARGPPARDPPARAFFAR1
SCHEMBL14968683 0.85 AR (0.51) ARFFAR1FFAR4TP53POLB
SCHEMBL15865895 0.84 AR (0.50) ARFFAR1FFAR4PLA2G4A
SCHEMBL14968698 0.84 AR (0.53) ARFFAR1FFAR4TGFBR1
SCHEMBL14968682 0.83 AR (0.52) ARPOLBTGFBR1
SCHEMBL14313623 0.81 AR (0.46) AR
SCHEMBL1014398 0.79 CCNC (0.43) ARFFAR1FFAR4
SCHEMBL1011507 0.77 CCNC (0.46) AR
SCHEMBL14291842 0.76 FAAH (0.45) ARPOLB
SCHEMBL1013404 0.74 AR (0.42) AR

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