SCHEMBL4033561

SCHEMBL4033561

Cc1noc(-c2ccc(F)cc2)c1N(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.42
LPAR3 Q9UBY5 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
STAT3 P40763 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 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
SCHEMBL4028121 0.91 LPAR1 (0.44) LPAR1LPAR3TDP1ABCC3ABCC4
SCHEMBL4034077 0.88 HDAC3 (0.41) LPAR1LPAR3STAT3TRPM8KMT2A
SCHEMBL4031584 0.87 LPAR1 (0.43) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4032476 0.86 LPAR1 (0.43) LPAR1LPAR3KMT2AMEN1KDM4E
SCHEMBL4031919 0.85 TRPA1 (0.50) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4030691 0.85 LPAR1 (0.41) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4036870 0.84 MAPK1 (0.42) LPAR1LPAR3KMT2AALDH1A1SMN1; SMN2
SCHEMBL4030969 0.84 LPAR1 (0.38) LPAR1LPAR3STAT3KMT2AMEN1
SCHEMBL4033953 0.83 LPAR1 (0.41) LPAR1LPAR3
SCHEMBL4027903 0.83 HTT (0.45) LPAR1LPAR3STAT3KDM4EALDH1A1

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