SCHEMBL4029111

SCHEMBL4029111

Cc1noc(-c2cccc(OC(F)(F)F)c2)c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
DHFR P00374 1/20 0.45
DHODH Q02127 10/20 0.44
FLT1 P17948 1/20 0.44
BRD4 O60885 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4033785 0.85 MAPT (0.50) LPAR1LPAR3MAPTKDM4EFLT1
SCHEMBL4037473 0.80 MAPT (0.51) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL4031102 0.80 LPAR1 (0.61) LPAR1LPAR3MAPTKDM4E
SCHEMBL4034814 0.80 MAPT (0.53) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL4035675 0.78 MAPT (0.67) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL4030049 0.78 MAPT (0.60) LPAR1LPAR3MAPTKDM4ETP53
SCHEMBL4032711 0.75 LPAR1 (0.48) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL4031711 0.75 MAPT (0.51) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL4030546 0.74 MAPT (0.47) LPAR1LPAR3MAPTKDM4ETP53
SCHEMBL4030555 0.74 MAPT (0.47) LPAR1LPAR3MAPTKDM4ETP53

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