SCHEMBL4036888

SCHEMBL4036888

COCc1noc(-c2ccccc2)c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.47
LPAR3 Q9UBY5 2/20 0.47
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.39
IP6K1 Q92551 2/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NR4A2 P43354 1/20 0.38
DUSP3 P51452 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4034308 0.86 KDM4E (0.49) LPAR1LPAR3PTGS1KDM4EMAPT
SCHEMBL4033458 0.78 LPAR1 (0.63) LPAR1LPAR3KDM4EMAPTLPAR2
SCHEMBL4035675 0.78 MAPT (0.67) LPAR1LPAR3PTGS1KDM4EMAPT
SCHEMBL4033885 0.77 LPAR1 (0.52) LPAR1LPAR3PTGS1KDM4EMAPT
SCHEMBL4032711 0.76 LPAR1 (0.48) LPAR1LPAR3KDM4EMAPTALDH1A1
SCHEMBL4304 0.74 RAB9A (0.40) LPAR1LPAR3KDM4EMAPTPTPN1
SCHEMBL4033611 0.72 LPAR1 (0.40) LPAR1LPAR3KDM4EMAPTNPC1
SCHEMBL4031154 0.71 ALDH1A1 (0.41) KDM4EMAPTALDH1A1LMNA
SCHEMBL4034023 0.71 LPAR1 (0.53) LPAR1LPAR3KDM4EMAPTNPC1
SCHEMBL4029141 0.70 LPAR1 (0.62) LPAR1LPAR3KDM4EMAPTNPC1

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 2 patents. 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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed