SCHEMBL9728554

SCHEMBL9728554

Cc1ccsc1N(C(=O)OC(C)(C)C)C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
ALOX5 P09917 1/20 0.34
GSK3B P49841 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RIPK1 Q13546 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30
POLB P06746 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
SCHEMBL8005497 0.78 GBA1 (0.36) USP30ALOX5CHRM2CHRM1CHRM3
SCHEMBL7290370 0.78 GBA1 (0.36) USP30ALOX5CHRM2CHRM1CHRM3
SCHEMBL1981228 0.78 GBA1 (0.36) USP30ALOX5CHRM2CHRM1CHRM3
SCHEMBL7292836 0.76 USP30 (0.40) USP30L3MBTL1
SCHEMBL7333182 0.76 USP30 (0.40) USP30L3MBTL1
SCHEMBL3594424 0.75 MEN1 (0.36) USP30
SCHEMBL3610281 0.74 ALOX5 (0.38) USP30ALOX5CHRM2CHRM1CHRM3
SCHEMBL9057454 0.74 ALOX5 (0.38) USP30ALOX5CHRM2CHRM1CHRM3
SCHEMBL9382586 0.74 SMN1; SMN2 (0.41) CHRM2CHRM1CHRM3LMNASMN1; SMN2
SCHEMBL642839 0.74 SMN1; SMN2 (0.41) CHRM2CHRM1CHRM3LMNASMN1; SMN2

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
US-5169833-A Analgesics G. D. SEARLE & CO. (US) 1992-12-08 US disclosed