SCHEMBL11279591

SCHEMBL11279591

CC(C)(C)c1cc(SCCCCCCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
HPN P05981 1/20 0.57
MAPT P10636 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL8493361 1.00 ALOX15 (0.57) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8492523 1.00 ALOX15 (0.57) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8492285 1.00 ALOX15 (0.57) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8702044 0.98 ALOX15 (0.59) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9199947 0.93 ALOX15 (0.50) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8496245 0.93 ALOX15 (0.50) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9504479 0.93 ALOX15 (0.50) ALOX15HPNMAPTSIRT5CA2
SCHEMBL11555358 0.93 ALOX15 (0.50) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8491962 0.93 ALOX15 (0.50) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9199940 0.92 ALOX15 (0.49) ALOX15HPNMAPTSIRT5CA2

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-4330462-A 4-MERCAPTOPHENOL DERIVATIVES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-05-18 US disclosed