SCHEMBL9503952

SCHEMBL9503952

CC(CNC(=O)NO)c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.52
EPHX2 P34913 12/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
ALOX5AP P20292 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL9588662 0.87 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9508076 0.87 ALOX5 (0.55) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9585158 0.81 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9590136 0.81 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9508080 0.80 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9701852 0.79 NPC1 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL13696704 0.78 NPC1 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9505365 0.78 NPC1 (0.51) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9503948 0.77 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL9503959 0.77 NPC1 (0.50) ALOX5EPHX2NPC1RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed