SCHEMBL9466902

SCHEMBL9466902

CC(C)(C)c1cc(SCC(O)C(O)Cl)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPN P05981 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 2/20 0.40

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
SCHEMBL11603987 0.83 ALOX15 (0.55) ALOX15MAPTHPNSIRT5CA2
SCHEMBL10685089 0.81 ALOX15 (0.53) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9384054 0.81 ALOX15 (0.49) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9484852 0.79 ALOX15 (0.50) ALOX15MAPTHPNSIRT5CA2
SCHEMBL11605148 0.77 ALOX15 (0.49) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9328163 0.76 HPN (0.47) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9681551 0.75 ALOX15 (0.50) ALOX15MAPTHPNSIRT5CA2
SCHEMBL5692187 0.75 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL646924 0.75 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL10817343 0.73 MAPT (0.61) ALOX15MAPTHPNSIRT5CA2

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-5206247-A Treatment of atherosclerotic condition characterized by membrane lipid peroxidation ADIR ET COMPAGNIE (FR) 1993-04-27 — — US disclosed
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