SCHEMBL2480728

SCHEMBL2480728

CCC(C)c1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C(C)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RORC P51449 1/20 0.45
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7160909 0.89 ALOX15 (0.43) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL7264514 0.84 ALOX15 (0.67) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL2482780 0.83 ALOX15 (0.59) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL9356515 0.80 ALOX15 (0.56) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL16736760 0.79 RORC (0.46) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL16736843 0.79 RORC (0.46) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL16736938 0.79 RORC (0.46) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL2794186 0.77 ALOX15 (0.64) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL2484931 0.74 ALOX15 (0.61) ALOX15ALDH1A1TP53TSHRCYP3A4
SCHEMBL29517048 0.74 ALOX15 (0.61) ALOX15ALDH1A1TP53TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2011-10-19 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed