SCHEMBL9150309

SCHEMBL9150309

CC(C)(C)c1cc(CCC#N)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
GAA P10253 6/20 0.57
MAPT P10636 6/20 0.57
TSHR P16473 5/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
BLM P54132 3/20 0.49
HIF1A Q16665 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 3/20 0.49
GMNN O75496 2/20 0.49
TP53 P04637 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALOX15 P16050 2/20 0.49
NFKB1 P19838 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL8122232 0.89 ALDH1A1 (0.55) ALDH1A1GAAMAPTTSHRHSD17B10
SCHEMBL11673332 0.84 ALDH1A1 (0.50) ALDH1A1GAAMAPTTSHRHSD17B10
SCHEMBL284696 0.82 ALDH1A1 (0.63) ALDH1A1GAAMAPTTSHRLMNA
SCHEMBL265388 0.81 GAA (0.53) ALDH1A1GAAMAPTTSHRHSD17B10
SCHEMBL3798584 0.81 ALDH1A1 (0.53) ALDH1A1GAAMAPTTSHRHSD17B10
SCHEMBL8751536 0.78 ALDH1A1 (0.59) ALDH1A1GAAMAPTTSHRLMNA
SCHEMBL283499 0.78 ALDH1A1 (0.59) ALDH1A1GAAMAPTTSHRLMNA
SCHEMBL9579492 0.76 ALDH1A1 (0.49) ALDH1A1GAAMAPTTSHRHSD17B10
SCHEMBL8751548 0.76 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRLMNA
SCHEMBL18193749 0.76 ALDH1A1 (0.57) ALDH1A1GAAMAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957978-B Method for recycling fishing net nylon 6 through granulating machine and regenerated fishing net nylon 6 宁波坚锋新材料有限公司 2023-06-23 CN disclosed
EP-0558569-B1 MEDICAMENTS CONTAINING SULPHONAMIDES, NOVEL SULPHONAMIDES AND PROCES FOR PRODUCING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-01-25 EP disclosed
EP-0558569-A1 MEDICAMENTS CONTAINING SULPHONAMIDES, NOVEL SULPHONAMIDES AND PROCES FOR PRODUCING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-08 EP disclosed
EP-0404039-B1 PHARMACEUTICALS CONTAINING DI-TERT.BUTYLHYDROXYPHENYL-DERIVATIVES AND NEW DERIVATIVES Roche Diagnostics GmbH (DE) 1993-01-13 EP disclosed
WO-1992009571-A1 MEDICAMENTS CONTAINING SULPHONAMIDES, NOVEL SULPHONAMIDES AND PROCES FOR PRODUCING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO disclosed
EP-0404039-A1 Pharmaceuticals containing di-tert.butylhydroxyphenyl-derivatives and new derivatives Roche Diagnostics GmbH (DE) 1990-12-27 EP disclosed
US-3969530-A 4-Hydroxy-3,5-di-alkyl-phenyl-propionic acid composition suitable as lipid lowering and anti-diabetic agents HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed