SCHEMBL9720151

SCHEMBL9720151

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
HIF1A Q16665 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 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
SCHEMBL29359445 0.90 CYP2C9 (0.65) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL26591 0.90 CYP2C9 (0.65) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29367721 0.90 CYP2C9 (0.65) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29368497 0.90 CYP2C9 (0.65) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
Water SCHEMBL11223223 0.89 ALOX15 (0.63) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28067567 0.89 ALOX15 (0.63) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
Water SCHEMBL11223238 0.89 ALOX15 (0.63) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
Bicarbonate SCHEMBL11292318 0.86 ALOX15 (0.60) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
Bicarbonate SCHEMBL11612231 0.86 ALOX15 (0.60) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL22293319 0.86 ALOX15 (0.60) ALOX15TP53ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132344-A Discoloration inhibition with phenolic antioxidants and zinc oxide, calcium stearate-free BP CHEMICALS LIMITED (GB) 1992-07-21 US claimed
US-4608436-A STABILIZERS FOR SYNTHETIC POLYMERS CIBA-GEIGY S.P.A. (IT) 1986-08-26 US disclosed