SCHEMBL4034499

SCHEMBL4034499

Cc1noc(-c2ccc(CCl)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.48
LPAR3 Q9UBY5 4/20 0.48
LPAR2 Q9HBW0 2/20 0.48
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL4034108 0.91 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034159 0.90 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032925 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4029083 0.89 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4033264 0.89 LPAR1 (0.40) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034918 0.89 LPAR1 (0.45) LPAR1LPAR3LPAR2S1PR1S1PR3
SCHEMBL4030949 0.88 LPAR1 (0.53) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL15437576 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032476 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4029159 0.88 LPAR1 (0.47) LPAR1LPAR3LPAR2

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