SCHEMBL3761349

SCHEMBL3761349

CC(C)(C)c1cc(C(C)(Cn2nc3ccccc3n2)C(=O)O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.38
HSP90AB1 P08238 6/20 0.38
ESRRA P11474 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2R P25116 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL28972985 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1ESRRARARBRARG
SCHEMBL10542020 0.74 ALDH1A1 (0.44) HSP90AA1HSP90AB1ESRRARARBRARG
SCHEMBL21628253 0.72 ALDH1A1 (0.47) HSP90AA1HSP90AB1ESRRARARBRARG
SCHEMBL28861006 0.72 ALDH1A1 (0.42) HSP90AA1HSP90AB1ESRRAADORA2AALDH1A1
SCHEMBL5366783 0.72 ESRRA (0.39) HSP90AA1HSP90AB1ESRRARARBRARG
SCHEMBL9669894 0.69 GAA (0.43) HSP90AA1HSP90AB1ALDH1A1NR1I2LMNA
SCHEMBL7696205 0.69 HSP90AA1 (0.39) HSP90AA1HSP90AB1ESRRAALDH1A1NR1I2
SCHEMBL11687158 0.69 ALDH1A1 (0.52) HSP90AA1HSP90AB1ESRRARARBRARG
SCHEMBL11361036 0.69 ALDH1A1 (0.52) HSP90AA1HSP90AB1ESRRARARBRARG
Biphenyl SCHEMBL28492519 0.69 ALDH1A1 (0.53) HSP90AA1HSP90AB1ESRRARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556355-B2 Paint compositions, method of paint finishing and painted objects BASF Coating GmbH (DE) 2017-01-31 US disclosed
EP-1954772-B1 PAINT COMPOSITIONS , METHOD OF PAINT FINISHING AND PAINTED OBJECTS BASF COATINGS JAPAN LTD (JP) 2010-01-20 EP disclosed
US-20090001331-A1 Paint Compositions, a Method of Paint Finishing and Painted Objects BASF COATINGS JAPAN LIMITED (JP) 2009-01-01 US disclosed
EP-1954772-A1 PAINT COMPOSITIONS , METHOD OF PAINT FINISHING AND PAINTED OBJECTS BASF Coatings Japan Ltd. (JP) 2008-08-13 EP disclosed
WO-2007063382-A1 PAINT COMPOSITIONS , METHOD OF PAINT FINISHING AND PAINTED OBJECTS BASF COATINGS JAPAN LTD. (DE) 2007-06-07 WO disclosed