SCHEMBL12434857

SCHEMBL12434857

C[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
NOS2 P35228 3/20 0.44
NOS1 P29475 2/20 0.44
NOS3 P29474 1/20 0.44
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 1/20 0.42
GABRR1 P24046 2/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
KIF11 P52732 1/20 0.41
ENPEP Q07075 2/20 0.41
BHMT Q93088 1/20 0.40
BHMT2 Q9H2M3 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
SCHEMBL15984957 1.00 SLC7A5 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL13026596 1.00 SLC7A5 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL13176779 0.88 GABRR1 (0.39) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL16118377 0.88 NOS2 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
Cystine SCHEMBL28213243 0.86 SLC7A5 (0.50) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL16626924 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL11193240 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL6537085 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL5518553 0.86 GABRR1 (0.46) GABRR1ENPEP
Cystine SCHEMBL8332353 0.86 PTGS1 (0.50) SLC7A5NOS2NOS1NOS3SLC1A3

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
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed