SCHEMBL10001331

SCHEMBL10001331

C=C(O)C(CCS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.43
ENPEP Q07075 3/20 0.39
ANPEP P15144 1/20 0.38
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
CPB2 Q96IY4 1/20 0.32
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL10001330 0.83 ENPEP (0.52) FOLH1ENPEPANPEPPTGS1SLC7A11
SCHEMBL9637730 0.74 FOLH1 (0.43) FOLH1ENPEPANPEPPTGS1SLC7A11
SCHEMBL28668165 0.69 FOLH1 (0.48) FOLH1ENPEPANPEPPTGS1SLC7A11
SCHEMBL2871925 0.69 FOLH1 (0.76) FOLH1ENPEPANPEPPTGS1SLC7A11
SCHEMBL29108839 0.69 FOLH1 (0.45) FOLH1ENPEPANPEPCPB2
SCHEMBL3330057 0.69 ENPEP (0.40) FOLH1ENPEPANPEPPTGS1SLC7A11
SCHEMBL3353937 0.67
SCHEMBL902569 0.67
SCHEMBL3394264 0.67
SCHEMBL2408287 0.67

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-8110605-B2 Compound for inactivating viruses and bacteria and method of making same NATIONAL TAIWAN UNIVERSITY (TW) 2012-02-07 US disclosed