SCHEMBL6968033

SCHEMBL6968033

COC(=O)C(C(=O)OC)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PKM P14618 1/20 0.41
DTYMK P23919 1/20 0.40
HCAR3 P49019 2/20 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
SCHEMBL7342179 0.89 TSHR (0.42) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL1455839 0.80 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL2597743 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL16413095 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL29529415 0.79 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL29158141 0.79 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL28532271 0.79 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL28928782 0.79 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL3311892 0.78 ALDH1A1 (0.52) ALDH1A1TSHRKMT2ALMNA
SCHEMBL7684130 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ALMNA

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 12 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
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN 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
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN 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