SCHEMBL9305616

SCHEMBL9305616

CC(C)(N)C(Cc1ccccc1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.47
EPHX1 P07099 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PSAT1 Q9Y617 1/20 0.40
LAP3 P28838 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL28652308 0.89 SRR (0.45) SRREPHX1ALPIPKMPTGS1
SCHEMBL28356018 0.87 SRR (0.44) SRREPHX1ALPIPKMPTGS1
SCHEMBL28356022 0.87 SRR (0.44) SRREPHX1ALPIPKMPTGS1
SCHEMBL28764311 0.82 SRR (0.45) SRREPHX1ALPIPKMPTGS1
SCHEMBL28914994 0.78 SLC6A2 (0.50) SRREPHX1ALPIPKMPTGS1
SCHEMBL1811694 0.78 SLC6A2 (0.50) SRREPHX1ALPIPKMPTGS1
SCHEMBL28237997 0.78 SLC6A2 (0.50) SRREPHX1ALPIPKMPTGS1
SCHEMBL21065942 0.77 SRR (0.41) SRREPHX1ALPIPKMPTGS1
SCHEMBL21065940 0.77 SRR (0.41) SRREPHX1ALPIPKMPTGS1
SCHEMBL7296959 0.77 SRR (0.46) SRREPHX1ALPIPKMPTGS1

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-5364850-A Analgesics G. D. SEARLE & CO. (US) 1994-11-15 US disclosed