SCHEMBL9810239

SCHEMBL9810239

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CC(=O)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
CTSL P07711 4/20 0.53
CTSS P25774 3/20 0.53
CTSB P07858 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CTSK P43235 1/20 0.50
CASP3 P42574 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
MME P08473 1/20 0.43
ECE1 P42892 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL10709074 0.87 CTSL (0.40) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL6449041 0.86 CYP1A2 (0.46) CYP3A4CYP2C9CYP2C19CTSLCTSS
SCHEMBL9812665 0.83 CTSK (0.50) CYP3A4CYP2D6CYP2C9CYP2C19CTSL
SCHEMBL10628905 0.83 CTSK (0.57) CTSLCTSSCTSBCTSKCASP3
SCHEMBL6059097 0.83 PIN1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL10633779 0.81 NAAA (0.37) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9797934 0.81 CTSL (0.57) CTSLCTSSCTSBCTSKIDO1
SCHEMBL6804053 0.79 CTSL (0.59) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL6804055 0.79 CTSL (0.59) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8662503 0.78 CTSB (0.70) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A

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-0264953-B1 USE OF N,N'-BIS-L-AMINO ACID-L-CYSTIN PEPTIDES IN AMINO ACID PREPARATIONS FOR ORAL AND PARENTERAL ADMINISTRATION PFRIMMER KABI GMBH & CO. KG (DE) 1991-05-08 EP disclosed
US-4968696-A CHRONIC UREMIA OR HEPATIC CIRRHOSIS PFRIMMER + CO. PHARMAZEUTISCHE WERKE ERLANGEN GMBH + CO. KG (DE) 1990-11-06 US disclosed
WO-1988003150-A2 N,N'-BIS-AMINO ACID-L-CYSTINE-PEPTIDE-CONTAINING AMINO ACID PREPARATIONS FOR ORAL AND PARENTERAL ADMINISTRATION PFRIMMER + CO. PHARMAZEUTISCHE WERKE ERLANGEN GMBH (DE) 1988-05-05 WO disclosed