SCHEMBL8976076

SCHEMBL8976076

CC(C)CC(CCS)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FOLH1 Q04609 1/20 0.38
ERAP2 Q6P179 3/20 0.37
ERAP1 Q9NZ08 3/20 0.37
IL1RN P18510 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
KISS1R Q969F8 1/20 0.36
ANPEP P15144 4/20 0.34
CPA1 P15085 1/20 0.34
SLC1A1 P43005 1/20 0.34
LAP3 P28838 1/20 0.34
ENPEP Q07075 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
SCHEMBL8770369 0.82 SLC1A3 (0.43) SLC1A3SLC1A2ERAP2ERAP1IL1RN
SCHEMBL276673 0.81 SLC1A3 (0.50) SLC1A3SLC1A2CA1CA2ERAP2
SCHEMBL16588725 0.80 SLC1A3 (0.42) SLC1A3SLC1A2CA1CA2ERAP2
SCHEMBL3914198 0.80 CA1 (0.48) SLC1A3SLC1A2CA1CA2ERAP2
SCHEMBL28650038 0.78 SLC1A3 (0.41) SLC1A3SLC1A2CA1CA2FOLH1
SCHEMBL5500834 0.77 FOLH1 (0.40) CA1CA2FOLH1ANPEPENPEP
SCHEMBL30730974 0.77 GABRP (0.50) SLC1A3SLC1A2FOLH1ERAP2ERAP1
SCHEMBL30730971 0.77 GABRP (0.50) SLC1A3SLC1A2FOLH1ERAP2ERAP1
SCHEMBL14261040 0.75 CA1 (0.52) SLC1A3SLC1A2CA1CA2ERAP2
SCHEMBL21014922 0.75 CACNA2D1 (0.45) SLC1A3SLC1A2CA1CA2ERAP2

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
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed