SCHEMBL7756128

SCHEMBL7756128

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7752041 1.00 CYP3A4 (0.33) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL7752021 0.98 ALDH1A1 (0.33) CYP3A4ALDH1A1LMNA
SCHEMBL7754864 0.94 LMNA (0.36) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL7755407 0.94 LMNA (0.36) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL7756115 0.93 ALDH1A1 (0.34) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL8757628 0.93 ALDH1A1 (0.34) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL7754014 0.92 LMNA (0.37) CYP3A4ALDH1A1LMNAMEN1THRB
SCHEMBL7755400 0.92 ALDH1A1 (0.35) CYP3A4ALDH1A1LMNA
SCHEMBL9073883 0.90 LMNA (0.42) LMNAMEN1THRBHTTKMT2A
SCHEMBL7755395 0.90 LMNA (0.42) LMNAMEN1THRBHTTKMT2A

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