SCHEMBL4731676

SCHEMBL4731676

O=[C]CN1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.42
SCD5 Q86SK9 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 2/20 0.40
IDH1 O75874 4/20 0.40
AR P10275 2/20 0.38

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
SCHEMBL9733041 1.00 GLS (0.42) GLSSCD5NPC1LMNATP53
SCHEMBL19471088 0.86 IDH1 (0.42) GLSSCD5NPC1LMNATP53
SCHEMBL17870955 0.86 IDH1 (0.42) GLSSCD5NPC1LMNATP53
SCHEMBL29053815 0.84 LMNA (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL29053818 0.84 LMNA (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL17870942 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL8138150 0.81 HDAC1 (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL266818 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL12333636 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL2065159 0.79 GLS (0.43) GLSSCD5NPC1LMNATP53

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
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
US-5091525-A 7beta- 2'-(R)-2'-(p-hydroxyphenyl-2'-amino-acetamido!-3-chloro -3-(1-carbadethiacephem)-4-carboxylic acid ELI LILLY AND COMPANY (US) 1992-02-25 US disclosed