SCHEMBL11222170

SCHEMBL11222170

NC(=O)C(C(=O)O)C(C(=O)O)C(N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ACHE P22303 1/20 0.31
BLM P54132 2/20 0.31
NR1I2 O75469 1/20 0.31
PTGS1 P23219 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 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
SCHEMBL30775137 0.74 ACHE (0.43) SLC7A5ACHEBLMPTGS1LMNA
SCHEMBL350703 0.72 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL350704 0.72 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL5323193 0.70 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL5323185 0.70 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL3930054 0.69 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Bicarbonate SCHEMBL12986986 0.69 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL29524472 0.69 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL5284864 0.69 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL8626747 0.69 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016611-B1 TRIPEPTIDES, PROCESS FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR USE ORTHO PHARMACEUTICAL CORPORATION (US) 1983-08-17 EP disclosed
EP-0016611-A2 Tripeptides, process for their preparation, therapeutic compositions containing them and methods for their use ORTHO PHARMACEUTICAL CORPORATION (US) 1980-10-01 EP disclosed
US-4215112-A IMMUNOLOGY; GLANDULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1980-07-29 US disclosed