SCHEMBL4032632

SCHEMBL4032632

CCOCc1cccc(-c2onc(C)c2NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 3/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
FFAR1 O14842 5/20 0.42
LPAR2 Q9HBW0 2/20 0.41
FFAR4 Q5NUL3 1/20 0.39
SLC5A1 P13866 2/20 0.38
TP53 P04637 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 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
SCHEMBL4032711 0.88 LPAR1 (0.48) LPAR1LPAR3MAPTKDM4EFFAR1
SCHEMBL4031711 0.83 MAPT (0.51) LPAR1LPAR3MAPTKDM4EFFAR1
SCHEMBL4036981 0.82 MAPT (0.45) LPAR1LPAR3MAPTKDM4EFFAR1
SCHEMBL4033624 0.81 LPAR1 (0.66) LPAR1LPAR3MAPTKDM4ELPAR2
SCHEMBL4034814 0.79 MAPT (0.53) LPAR1LPAR3MAPTKDM4ENPC1
SCHEMBL4033847 0.78 LPAR1 (0.49) LPAR1LPAR3MAPTKDM4EFFAR1
SCHEMBL4035675 0.77 MAPT (0.67) LPAR1LPAR3MAPTKDM4ELPAR2
SCHEMBL4030049 0.77 MAPT (0.60) LPAR1LPAR3MAPTKDM4ELPAR2
SCHEMBL4037473 0.77 MAPT (0.51) LPAR1LPAR3MAPTKDM4ELPAR2
SCHEMBL4034651 0.75 LPAR1 (0.41) LPAR1LPAR3MAPTKDM4EFFAR1

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed