SCHEMBL4029346

SCHEMBL4029346

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.55
LPAR3 Q9UBY5 4/20 0.55
LPAR2 Q9HBW0 2/20 0.55
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.37
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
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL4034142 0.89 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4029811 0.87 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4036686 0.87 LPAR1 (0.52) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4028419 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3706068 0.84 MAPT (0.52) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4034447 0.83 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4029577 0.80 TSHR (0.52) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4030950 0.79 LPAR1 (0.85) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4037272 0.77 MAPT (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4033885 0.77 LPAR1 (0.52) LPAR1LPAR3LPAR2MAPTKDM4E

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