SCHEMBL9512980

SCHEMBL9512980

Cc1cc(C(=O)N(C)c2ccccc2C)on1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 15/20 0.52
HSD17B2 P37059 14/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.44

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
SCHEMBL9510820 0.78 HSD17B1 (0.51) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL9133802 0.73 HSD17B1 (0.47) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL9136309 0.72 HSD17B1 (0.46) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL9512940 0.72 HSD17B1 (0.51) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL20041120 0.71 ALDH1A1 (0.59) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL3807892 0.71 ALDH1A1 (0.51) HSD17B1HSD17B2ALDH1A1
SCHEMBL9132734 0.70 GPBAR1 (0.46) HSD17B1HSD17B2SMN1; SMN2TP53MAPT
SCHEMBL9134167 0.70 HSD17B1 (0.47) HSD17B1HSD17B2GPBAR1RAB9A
SCHEMBL3740706 0.70 HCAR2 (0.55) SMN1; SMN2TP53HCAR2RAB9A
SCHEMBL12550525 0.69 ALDH1A1 (0.53) HSD17B1HSD17B2SMN1; SMN2TP53MAPT

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 3 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
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 disclosed