SCHEMBL9507159

SCHEMBL9507159

CC(SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
GAA P10253 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 2/20 0.49
GMNN O75496 1/20 0.49
GABBR2 O75899 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL295548 0.80 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL38964 0.80 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL1274824 0.80 HSPA5 (0.50) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL10780449 0.79 ALDH1A1 (0.49) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL9478510 0.79 ALDH1A1 (0.55) ALDH1A1GAATSHRLMNAMAPK1
Hydrogen Sulfide SCHEMBL28290635 0.79 ALDH1A1 (0.55) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL7525281 0.78 ALDH1A1 (0.44) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL10775865 0.77 ALDH1A1 (0.40) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL9507166 0.77 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL1275446 0.76 HSPA5 (0.50) ALDH1A1GAATSHRLMNAMAPK1

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-0282433-B1 AUTOSYNERGISTIC PHENOLIC ANTIOXIDANT REACTION PRODUCT THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-08-11 EP disclosed
EP-0282433-A2 Autosynergistic phenolic antioxidant reaction product THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-09-14 EP disclosed
US-4707300-A PHENOLIC RESINS MODIFIED WITH MERCAPTAINS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-11-17 US disclosed