SCHEMBL6968035

SCHEMBL6968035

CCOC(=O)C(C(=O)O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 7/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
AKR1B1 P15121 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.42
NPBWR1 P48145 1/20 0.42
RAB9A P51151 1/20 0.42
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7342175 0.95 SMN1; SMN2 (0.50) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL19695886 0.86 SMN1; SMN2 (0.49) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL7342180 0.85 TP53 (0.43) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL4095909 0.85 ALDH1A1 (0.58) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL4095907 0.85 ALDH1A1 (0.58) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL20558473 0.84 TP53 (0.52) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL2616867 0.84 ALDH1A1 (0.51) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL29529192 0.84 ALDH1A1 (0.51) SMN1; SMN2TP53HTTALDH1A1TDP1
SCHEMBL2595990 0.82 MAPT (0.49) SMN1; SMN2ALDH1A1TDP1MAPTMAPK1
SCHEMBL9080764 0.81 TP53 (0.49) SMN1; SMN2TP53HTTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 US disclosed
US-5968950-A Apo B-secretion/MTP inhibitor hydrochloride salt PFIZER INC (US) 1999-10-19 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
EP-0887345-A1 4'-trifluoromethylbiphenyl-2-carboxylic acid-[2-(2-acetylaminoethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amide hydrochloride as apo B-secretion/MTP inhibitors PFIZER INC. (US) 1998-12-30 EP disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO disclosed