SCHEMBL4698528

SCHEMBL4698528

Cc1cc(C)c(C(=O)O)c(O)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPK1 P28482 2/20 0.66
POLB P06746 2/20 0.48
CYP3A4 P08684 3/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 1/20 0.42
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IGFBP3 P17936 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL17874283 0.85 MAPK1 (0.52) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL10864783 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL7788152 0.81 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL31125623 0.81 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL11732815 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL29898229 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL3340047 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL3986248 0.78 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
Hydrochloric Acid SCHEMBL920573 0.76 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4
SCHEMBL31214299 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1POLBCYP3A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
EP-1516875-A1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1516874-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1493733-A2 Fungicidal heterocyclic aromatic amides, their compositions and methods of use Dow AgroSciences LLC (US) 2005-01-05 EP disclosed
EP-1486489-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2004-12-15 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed
EP-0835109-A4 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5744486-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1998-04-28 US disclosed
EP-0835109-A1 PYRIDINONE-THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-04-15 EP disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 WO disclosed
EP-0351399-A1 ISOQUINOLINE DERIVATIVES, THEIR MANUFACTURE AND USE HUHTAMÄKI OY (FI) 1990-01-24 EP disclosed
WO-1988007041-A1 ISOQUINOLINE DERIVATIVES, THEIR MANUFACTURE AND USE Huhtamäki Oy (FI) 1988-09-22 WO disclosed