SCHEMBL9507067

SCHEMBL9507067

CC(C)(C(=O)O)c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
ALOX5 P09917 8/20 0.55
EPHX2 P34913 8/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX5AP P20292 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL9503948 0.83 ALOX5 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9504272 0.79 ALOX5AP (0.60) ALOX5ALOX5AP
SCHEMBL9590136 0.78 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7607544 0.78 MAPT (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9585158 0.78 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7608634 0.77 MAPT (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL10682657 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7608640 0.74 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7541426 0.74 ALOX5 (0.74) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1

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 4 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
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed