SCHEMBL4033264

SCHEMBL4033264

Cc1noc(-c2ccc(CCl)cc2)c1N(C(=O)O)C(C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.40
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 2/20 0.33
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
BRD4 O60885 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL4034499 0.89 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034111 0.89 BRD4 (0.37) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034923 0.89 MEN1 (0.34) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4030980 0.83 IP6K1 (0.38) LPAR1LPAR3LPAR2TP53PPARG
SCHEMBL4029114 0.82 HDAC6 (0.40) LPAR1LPAR3MEN1KMT2ATP53
SCHEMBL4032476 0.81 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4030341 0.79 LPAR1 (0.39) LPAR1LPAR3LPAR2ALDH1A1HDAC3
SCHEMBL4034108 0.79 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032925 0.79 LPAR1 (0.42) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4029083 0.79 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A

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