SCHEMBL8859536

SCHEMBL8859536

CCCCC(CCCC)CCCSCC(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 3/20 0.40
MAPK1 P28482 1/20 0.40
FDPS P14324 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8757613 0.92 ACE2 (0.38) ACE2GMNNTP53POLBMAPT
SCHEMBL8859553 0.92 ACE2 (0.44) ACE2GMNNTP53POLBMAPT
SCHEMBL7752088 0.90 ACE2 (0.49) ACE2GMNNTP53POLBMAPT
SCHEMBL8859466 0.87 ACE2 (0.46) ACE2GMNNTP53POLBMAPT
SCHEMBL9734941 0.87 ACE2 (0.46) ACE2GMNNTP53POLBMAPT
SCHEMBL8758257 0.85 ACE2 (0.39) ACE2GMNNTP53POLBMAPT
SCHEMBL7167169 0.85 MAPT (0.52) ACE2GMNNTP53POLBMAPT
SCHEMBL11089311 0.84 MAPT (0.55) ACE2GMNNTP53POLBMAPT
SCHEMBL10639673 0.84 MAPT (0.55) ACE2GMNNTP53POLBMAPT
SCHEMBL9355083 0.84 MAPT (0.55) ACE2GMNNTP53POLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672730-A OXIDATION RESIST STABILIZER FOR POLYMERIC BLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-09-30 US disclosed