SCHEMBL7606052

SCHEMBL7606052

CCCCCCCCCCCCSCCC(C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C.Cc1cc(O)c(C(C)(C)C)cc1C(CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL39145 0.89 ALOX15 (0.42) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL28340446 0.89 ALOX15 (0.42) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL29358481 0.89 ALOX15 (0.42) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL10602267 0.89 TP53 (0.47) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL8528141 0.88 TP53 (0.54) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL11297701 0.87 ALOX15 (0.67) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL29720565 0.84 ALOX15 (0.40) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL7144683 0.82 NR5A2 (0.37) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL5710085 0.82 ALOX15 (0.78) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL30804627 0.82 ALOX15 (0.78) TP53ALOX15CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500895-B1 REDUCED MOISTURE ABSORPTION, IMPROVED PAINT ADHESION, AND IMPROVED STABILITY; POLYESTER IONOMER IS PRODUCT OF AROMATIC DICARBOXYLIC ACID, DIOL, AND SULFONATE MONOMER; STABILIZER IS PHENOLIC ANTIOXIDANT AND THIOESTER, ORGANOPHOSPHITE GENERAL ELECTRIC COMPANY 2002-12-31 US disclosed