SCHEMBL9512988

SCHEMBL9512988

Cc1cc(C)c(NC(=O)c2cc(C)on2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
ALDH1A1 P00352 4/20 0.62
TP53 P04637 2/20 0.62
GLA P06280 1/20 0.62
HTT P42858 1/20 0.62
KDM4E B2RXH2 1/20 0.59
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RECQL P46063 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL9510816 0.85 MAPT (0.63) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL9817347 0.80 GAA (0.74) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL15427115 0.79 MAPT (1.00) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24025329 0.79 MAPT (0.63) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL24025347 0.78 MAPT (0.61) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL8267173 0.77 NPC1 (0.90) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL9512456 0.77 GAA (0.71) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL10192186 0.77 NPC1 (1.00) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL8267184 0.75 HTT (0.74) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL345038 0.74 MAPT (0.67) MAPTNPC1RAB9AALDH1A1TP53

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-0371876-B1 Isoxazoles and isoxazolines with an anticonvulsive activity, and pharmaceutical compositions containing them NOVAPHARME (FR) 1993-11-24 EP claimed
US-5059614-A NOVEL ISOXAZOLE AND ISOXAZOLINE COMPOUNDS WITH ANTICONVULSANT ACTIVITY PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM NOVAPHARME (FR) 1991-10-22 US claimed