SCHEMBL9526216

SCHEMBL9526216

Cc1noc(C(=O)NC(C)(C)C)c1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GABRA5 P31644 1/20 0.34
NPY1R P25929 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
RIPK1 Q13546 1/20 0.32
TP53 P04637 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9201897 0.81 PRKAB2 (0.32) SMN1; SMN2GABRA5NPY1R
SCHEMBL9198077 0.81 NPY1R (0.30) ALDH1A1SMN1; SMN2KDM4EGABRA5NPY1R
SCHEMBL9527271 0.81 ALDH1A1 (0.33) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL9526741 0.80 LMNA (0.43) ALDH1A1SMN1; SMN2KDM4EHTTL3MBTL1
SCHEMBL9203070 0.79 GABRA5 (0.38) ALDH1A1GABRA5RIPK1L3MBTL1
SCHEMBL9240927 0.78 GAA (0.38) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL9201823 0.76 ALDH1A1 (0.37) ALDH1A1RAB9ASMN1; SMN2NPC1GABRA5
SCHEMBL9199703 0.76 POLB (0.37) RAB9ANPC1POLBHTTL3MBTL1
SCHEMBL8986729 0.74 SMN1; SMN2 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL9446181 0.74 HTT (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575341-A1 ISOXAZOL- AND ISOTHIAZOL-5-CARBOXYLIC ACID AMIDES BASF Aktiengesellschaft (DE) 1993-12-29 EP disclosed
EP-0337263-B1 ISOXAZOL(ISOTHIAZOLS)-5-CARBOXAMIDES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
WO-1992016514-A1 ISOXAZOL- AND ISOTHIAZOL-5-CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1992-10-01 WO disclosed
EP-0337263-A2 Isoxazol(isothiazols)-5-carboxamides BASF Aktiengesellschaft (DE) 1989-10-18 EP disclosed