SCHEMBL5015046

SCHEMBL5015046

[CH2]Cc1cc(C)c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10823041 0.79 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL3761833 0.79 CD44 (0.41) ALDH1A1NPSR1CYP3A4
SCHEMBL14957365 0.77 ALDH1A1 (0.44) ALDH1A1PGK1PGK2NPSR1CYP3A4
SCHEMBL3753470 0.76 DPP4 (0.33) ALDH1A1
SCHEMBL29737291 0.75 NPSR1 (0.50) ALDH1A1PGK1PGK2NPSR1CYP3A4
SCHEMBL10604234 0.75 ALDH1A1 (0.62) ALDH1A1PGK1PGK2NPSR1CYP3A4
SCHEMBL3199545 0.75 NPSR1 (0.50) ALDH1A1PGK1PGK2NPSR1CYP3A4
SCHEMBL7489909 0.74 NPSR1 (0.40) ALDH1A1PGK1PGK2NPSR1
SCHEMBL599112 0.73 NOS3 (0.44) ALDH1A1PGK1PGK2NPSR1CYP3A4
SCHEMBL1612884 0.72 ALDH1A1 (0.31) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed