SCHEMBL8764503

SCHEMBL8764503

CC[CH]CCc1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
MRGPRX4 Q96LA9 7/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
MEP1B Q16820 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43

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
SCHEMBL9960225 0.86 FOLH1 (0.51) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL8758745 0.83 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL2553810 0.81 FOLH1 (0.58) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL30354557 0.81 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL991080 0.81 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL371526 0.80 FOLH1 (0.70) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL4871285 0.80 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL8759256 0.80 ALDH1A1 (0.57) TP53SMN1; SMN2RAB9AHIF1A
SCHEMBL3387825 0.78 FOLH1 (0.58) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL31124111 0.78 FOLH1 (0.58) FOLH1MRGPRX4TP53PKMNFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664281-B1 ISOCARBACYCLIN WITH MODIFIED alpha(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 1997-05-28 EP disclosed
EP-0722725-A1 VASCULAR SMOOTH MUSCLE CELL MIGRATION INHIBITOR TEIJIN LIMITED (JP) 1996-07-24 EP disclosed
EP-0664281-A1 ISOCARBACYCLIN WITH MODIFIED $g(a)-CHAIN AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1995-07-26 EP disclosed