SCHEMBL4035115

SCHEMBL4035115

Cc1cccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSA P10619 2/20 0.38
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4035057 0.92 TP53 (0.41) LPAR1LPAR3LPAR2KDM4EL3MBTL1
SCHEMBL4034108 0.92 LPAR1 (0.44) LPAR1LPAR3LPAR2KDM4EALDH1A1
SCHEMBL4030964 0.91 HDAC3 (0.39) LPAR1LPAR3LPAR2KDM4EALDH1A1
SCHEMBL4034159 0.89 LPAR1 (0.44) IP6K1IP6K3IP6K2LPAR1LPAR3
SCHEMBL4032925 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2TSHRALDH1A1
SCHEMBL4033684 0.87 NPC1 (0.39) LPAR1LPAR3LPAR2HTTALDH1A1
SCHEMBL4027903 0.86 HTT (0.45) IP6K1IP6K3IP6K2LPAR1LPAR3
SCHEMBL4032395 0.86 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4ECTSA
SCHEMBL4030608 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2NPSR1CTSA
SCHEMBL4032913 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2HTTKDM4E

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