SCHEMBL7752086

SCHEMBL7752086

CCCCC(CC)CCCCCC(CCCCCCCCC(CCCCCC(CC)CCCC)CC(O)=S)CC(O)=S

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CA2 P00918 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
GPR84 Q9NQS5 6/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 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
SCHEMBL7755414 1.00 ALDH1A1 (0.48) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL7752092 0.98 ALDH1A1 (0.47) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL7756102 0.90 LMNA (0.45) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL7755423 0.90 ALDH1A1 (0.40) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL11440726 0.90 LMNA (0.54) LMNAGPR84
SCHEMBL3771381 0.90 ALDH1A1 (0.54) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL9074800 0.90 LMNA (0.54) LMNAGPR84
SCHEMBL7754815 0.88 ALDH1A1 (0.39) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL7754809 0.88 ALDH1A1 (0.39) ALDH1A1CA2TDP1LMNACYP3A4
SCHEMBL7752149 0.88 LMNA (0.48) ALDH1A1CA2LMNAGPR84

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-0764636-B1 Thiopropionate synergists GOODYEAR TIRE & RUBBER (US) 2001-03-07 EP disclosed
US-5672730-A OXIDATION RESIST STABILIZER FOR POLYMERIC BLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-09-30 US disclosed
EP-0764636-A2 Thiopropionate synergists THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-03-26 EP disclosed