SCHEMBL7160909

SCHEMBL7160909

CC(C)Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1CC(C)C.CCC(C)c1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
RORC P51449 1/20 0.38
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 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
SCHEMBL2480728 0.89 ALOX15 (0.53) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL2484356 0.88 ALOX15 (0.54) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL29517048 0.75 ALOX15 (0.61) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL2484931 0.75 ALOX15 (0.61) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL7264514 0.75 ALOX15 (0.67) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL2482780 0.74 ALOX15 (0.59) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL10015714 0.73 ALOX15 (0.69) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL12443089 0.72 ALOX15 (0.58) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL2483068 0.71 ALOX15 (0.56) ALOX15ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL9356515 0.71 ALOX15 (0.56) ALOX15ALDH1A1TSHRTP53SMN1; SMN2

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-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed