SCHEMBL1507626

SCHEMBL1507626

CSc1ccc(O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.34
AR P10275 1/20 0.34
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL5570280 0.82 GAA (0.39) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL5150171 0.82 ALOX15 (0.50) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL29599714 0.82 ALOX15 (0.50) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL11234362 0.81 ALOX15 (0.45) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL29457565 0.78 TRPA1 (0.53) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL68013 0.78 TRPA1 (0.53) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL3719399 0.75 GAA (0.34) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL10886083 0.73 ALDH1A1 (0.40) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL4606273 0.73 AR (0.38) ALOX15HSD17B10TP53GAAMEN1
SCHEMBL9367675 0.73 TRPA1 (0.37) ALOX15HSD17B10TP53GAAMEN1

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-2325176-B1 Process for the preparation of Isoxazolin-3-yl-Acylbenzenes BASF SE (DE) 2015-02-25 EP disclosed
EP-2298749-B1 Process for the preparation of Thioethers BASF SE (DE) 2014-12-24 EP disclosed
EP-2325176-A1 Process for the preparation of isoxazolin-3-yl-acylbenzenes BASF SE (DE) 2011-05-25 EP disclosed
EP-2298749-A1 Process for the preparation of Thioethers BASF SE (DE) 2011-03-23 EP disclosed
EP-1852424-A2 Method for manufacturing isoxazoline-3-yL-acyl benzoles BASF AKTIENGESELLSCHAFT (DE) 2007-11-07 EP disclosed
EP-1077955-B1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AG (DE) 2007-06-27 EP disclosed
EP-1129082-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1077955-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-2000029394-A1 METHOD AND NOVEL INTERMEDIATE PRODUCTS FOR PRODUCING ISOXAZOLIN-3-YL-ACYLBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-1999058509-A1 METHOD FOR PRODUCING ISOXAZOLINE-3-YL-ACYL BENZENE BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed