SCHEMBL4676199

SCHEMBL4676199

COC(=O)C(C)NCc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
NPC1 O15118 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
SCHEMBL29176962 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PKMMEN1KMT2AALDH1A1
SCHEMBL15383227 0.85 CYP2C19 (0.50) TSHRL3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL2716941 0.85 ALDH1A1 (0.51) TSHRL3MBTL1MAPTSMN1; SMN2PKM
SCHEMBL21117774 0.85 TSHR (0.49) TSHRL3MBTL1MAPTITGB1ITGA5
SCHEMBL8231068 0.85 CYP2C19 (0.50) TSHRL3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL6075832 0.85 TSHR (0.68) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL5065975 0.85 TSHR (0.68) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL5055898 0.85 TSHR (0.68) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL10098394 0.84 SCN9A (0.52) SMN1; SMN2ITGB1ITGA5
SCHEMBL914510 0.84 MAPT (0.67) TSHRL3MBTL1MAPTATMMEN1

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-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed