SCHEMBL7758050

SCHEMBL7758050

CCCCCCCCC(CC)CC(CCOCCC(CC(O)=S)CC(CC)CCCCCCCC)CC(O)=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7752095 0.98 LMNA (0.37) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7758044 0.98 LMNA (0.37) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7758079 0.92 LMNA (0.39) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7756648 0.91 LMNA (0.38) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7757948 0.91 LMNA (0.38) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7754808 0.91 LMNA (0.45) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7752106 0.91 LMNA (0.45) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7758067 0.89 LMNA (0.44) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL9070541 0.89 LMNA (0.44) LMNAGPR84MAPTMEN1THRB
SCHEMBL7755423 0.88 ALDH1A1 (0.40) LMNAALDH1A1CYP3A4PRSS1PRSS2

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