SCHEMBL4030341

SCHEMBL4030341

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.39
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 2/20 0.35
MAPT P10636 2/20 0.34
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32

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
SCHEMBL4037774 0.88 LPAR1 (0.33) LPAR1MAPTHDAC4HDAC1HDAC7
SCHEMBL4031683 0.84 TRPA1 (0.43) LPAR1LPAR3ALDH1A1S1PR3
SCHEMBL4033264 0.79 LPAR1 (0.40) LPAR1LPAR3LPAR2MAPTHDAC1
SCHEMBL4034499 0.78 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTHDAC1
SCHEMBL16060790 0.76 POLB (0.38) LPAR1LPAR3LPAR2MAPTHDAC1
SCHEMBL4033561 0.73 LPAR1 (0.42) LPAR1LPAR3KDM4EALDH1A1ABCC3
SCHEMBL4028121 0.73 LPAR1 (0.44) LPAR1LPAR3MAPTKDM4EALDH1A1
SCHEMBL4030691 0.73 LPAR1 (0.41) LPAR1LPAR3MAPTABCC3ABCC4
SCHEMBL4033953 0.73 LPAR1 (0.41) LPAR1LPAR3S1PR1S1PR3
SCHEMBL4035140 0.72 KMT2A (0.44) MAPTHTTNPSR1

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