SCHEMBL7756115

SCHEMBL7756115

CCCCC(CCCC)CCCC(CCOCCOCCOCCC(CCCC(CCCC)CCCC)CC(O)=S)CC(O)=S

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL8757628 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL7755400 0.98 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRTDP1LMNA
SCHEMBL7754864 0.93 LMNA (0.36) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL7755407 0.93 LMNA (0.36) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL7756128 0.93 CYP3A4 (0.33) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL7752041 0.93 CYP3A4 (0.33) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL7752021 0.92 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRLMNA
SCHEMBL7754014 0.92 LMNA (0.37) ALDH1A1CYP3A4MEN1THRBHTT
SCHEMBL9073883 0.90 LMNA (0.42) MEN1THRBHTTKMT2AMAPT
SCHEMBL7755395 0.90 LMNA (0.42) MEN1THRBHTTKMT2AMAPT

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