SCHEMBL6453640

SCHEMBL6453640

CC(CC(=O)O)c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 3/20 0.44
TYR P14679 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CYP26A1 O43174 3/20 0.37
FFAR1 O14842 2/20 0.36
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
CYP3A4 P08684 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3239754 0.80 TYR (0.50) ALDH1A1TYRFFAR1MEN1KMT2A
SCHEMBL1277895 0.79 ALOX15 (0.48) ALDH1A1CYP2C9TYRHSD17B10NR1I2
SCHEMBL740967 0.79 CYP2C9 (0.48) ALDH1A1CYP2C9TYRHSD17B10NR1I2
SCHEMBL13323826 0.79 ESR2 (0.42) TYRFFAR1ESR1ESR2CYP1A2
SCHEMBL4807774 0.79 GLRA3 (0.38) ALDH1A1CYP2C9TYRHSD17B10NR1I2
SCHEMBL22823679 0.78 FFAR1 (0.42) CYP2C9TYRMIFFFAR1CYP3A4
SCHEMBL16790333 0.78 FFAR1 (0.37) TYRFFAR1CYP3A4CYP1A2MEN1
SCHEMBL7518942 0.76 TYR (0.46) ALDH1A1CYP2C9TYRHSD17B10NR1I2
SCHEMBL5377400 0.76 ALDH1A1 (0.57) ALDH1A1CYP2C9TYRHSD17B10NR1I2
SCHEMBL7796364 0.75 CA2 (0.48) ALDH1A1CYP2C9LMNAFFAR1GLRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011901-A1 Stabilized Polyolefin Compositions POLNOX CORPORATION (US) 2014-01-09 US disclosed
EP-1537172-A1 STABILISED BLOCK COPOLYMERS MADE FROM STYROL MONOMERS AND DIENE MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2005-06-08 EP disclosed
WO-2004020512-A1 STABILISED BLOCK COPOLYMERS MADE FROM STYROL MONOMERS AND DIENE MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2004-03-11 WO disclosed
WO-1999043666-A1 PHOTOCHROMATIC COMPOSITIONS ENDOWED WITH LIGHT FATIGUE RESISTANCE AND PHOTOCHROMATIC ARTICLES CONTAINING THEM GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-09-02 WO disclosed