SCHEMBL13063383

SCHEMBL13063383

C=C(COc1ccc(N)cc1)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
APP P05067 2/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
MAOB P27338 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
WDR5 P61964 1/20 0.39
AOC3 Q16853 1/20 0.38
GPR174 Q9BXC1 1/20 0.37

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
SCHEMBL13063409 0.83 PTGS2 (0.46) TDP1TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL10479216 0.80 TDP1 (0.54) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL13802372 0.78 TDP1 (0.50) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL13063418 0.78 TDP1 (0.45) TDP1TSHRGAAMAOA
SCHEMBL223169 0.77 PTGS2 (0.57) TDP1TSHRALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7327250 0.76 PTGS2 (0.55) TDP1TSHRALDH1A1CYP3A4RAB9A
SCHEMBL8167105 0.75 ALDH1A1 (0.58) TDP1TSHRALDH1A1CYP3A4RAB9A
SCHEMBL12832801 0.74 HDAC1 (0.50) TDP1TSHRRAB9ANPC1
SCHEMBL3973631 0.73 PTGS2 (0.53) TDP1TSHRMAPK1ALDH1A1RAB9A
SCHEMBL6684430 0.72 TDP1 (0.54) TDP1TSHRMAPK1ALDH1A1CYP3A4

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