SCHEMBL13063409

SCHEMBL13063409

C=C(COc1ccc(N)cc1)OCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
SYK P43405 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 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
SCHEMBL829458 0.87 PTGS2 (0.51) PTGS2SYKALDH1A1CYP2C9CYP2C19
SCHEMBL223169 0.87 PTGS2 (0.57) PTGS2SYKALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7327250 0.85 PTGS2 (0.55) PTGS2SYKALDH1A1CYP2C9CYP2C19
SCHEMBL13063383 0.83 TDP1 (0.50) ALDH1A1TSHRTDP1MAPTNPC1
SCHEMBL3973631 0.82 PTGS2 (0.53) PTGS2SYKALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3973727 0.81 PTGS2 (0.51) PTGS2SYKALDH1A1CYP2C9CYP2C19
SCHEMBL12810501 0.79 PTGS2 (0.41) PTGS2SYKALDH1A1CYP2C9CYP2C19
SCHEMBL13935133 0.78 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4264046 0.78 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL2116437 0.77 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT

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
EP-1937182-B1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL LLC (US) 2010-12-15 EP disclosed