SCHEMBL8892676

SCHEMBL8892676

COc1cc(CC(CC(O)C(N)Cc2ccccc2)C(=O)O)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
METAP2 P50579 1/20 0.48
F2 P00734 1/20 0.47
CYP1A2 P05177 1/20 0.43
ANPEP P15144 3/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.40
FOLH1 Q04609 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8892685 1.00 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1METAP2F2
SCHEMBL8894259 0.88 LDHA (0.54) SLC1A3SLC1A2SLC1A1F2CYP1A2
SCHEMBL8894272 0.88 LDHA (0.54) SLC1A3SLC1A2SLC1A1F2CYP1A2
SCHEMBL8895932 0.84 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1METAP2F2
SCHEMBL8895937 0.84 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1METAP2F2
SCHEMBL7436311 0.83 SLC1A3 (0.68) SLC1A3SLC1A2SLC1A1CYP1A2ANPEP
SCHEMBL7436306 0.83 SLC1A3 (0.68) SLC1A3SLC1A2SLC1A1CYP1A2ANPEP
SCHEMBL8894736 0.83 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1F2CYP1A2
SCHEMBL8894728 0.83 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1F2CYP1A2
SCHEMBL8893679 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CYP1A2ANPEP

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-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed