SCHEMBL7985448

SCHEMBL7985448

CCN(CC)CCSCC(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.37
ALDH2 P05091 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CES2 O00748 1/20 0.32
HPGD P15428 1/20 0.32
PLA2G4B P0C869 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL890300 0.84 MAPT (0.50) MAPTGMNNTP53POLBTHRB
SCHEMBL9522178 0.76 MAPT (0.38) MAPTGMNNTP53POLBTHRB
SCHEMBL13461104 0.76 CES2 (0.50) MAPTGMNNTP53POLBTHRB
SCHEMBL29193673 0.76 KDM1A (0.35) MAPTHSD17B10ALDH1A1CHRM2CHRM4
SCHEMBL679006 0.72 CES1 (0.39) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL6664594 0.71 HSD17B10 (0.59) MAPTGMNNTP53POLBTHRB
SCHEMBL950901 0.70 SLC2A1 (0.37) MAPTPOLBALDH1A1CHRM2CHRM4
SCHEMBL12352711 0.69 SMN1; SMN2 (0.55) MAPTALDH1A1CHRM2CHRM4CHRM1
SCHEMBL1279809 0.69 BHMT (0.44) MAPTBLMALDH1A1ALDH2CHRM2
SCHEMBL14331808 0.69 LDHA (0.38) MAPTBLMALDH1A1ALDH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed