SCHEMBL4029454

SCHEMBL4029454

Cc1noc(-c2ccc(CNCCF)cc2)c1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL4037667 0.86 LPAR1 (0.48) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4035059 0.84 ALDH1A1 (0.51) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4038441 0.81 HDAC1 (0.50) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4031792 0.81 KDM4E (0.45) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3706068 0.80 MAPT (0.52) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4029548 0.80 ATM (0.57) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4032063 0.79 LPAR1 (0.47) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4031208 0.78 LPAR1 (0.73) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4034870 0.78 MAPT (0.52) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL12467498 0.78 MAPT (0.52) MAPTKDM4ELPAR1LPAR3LPAR2

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