SCHEMBL4356755

SCHEMBL4356755

N[C@@H](CCC(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
SLC7A5 Q01650 1/20 0.66
CPB2 Q96IY4 1/20 0.48
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
LTA4H P09960 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
SCHEMBL5268405 0.92 CYP3A4 (0.57) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL724387 0.90 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL27575969 0.88 CYP3A4 (0.52) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL6338597 0.87 CYP3A4 (0.69) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL21772061 0.87 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL22462180 0.87 CYP3A4 (0.60) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL22462183 0.87 CYP3A4 (0.60) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL27819287 0.84 CYP3A4 (0.57) CYP3A4SLC7A5
SCHEMBL163444 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL1537285 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108795965-A A kind of screening technique of polar amino acid superior strain 北京理工大学 2018-11-13 CN claimed
EP-0210257-A4 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS. HURWITZ CHARLES (US) 1988-01-20 EP claimed
EP-0210257-A1 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS HURWITZ, Charles (US) 1987-02-04 EP claimed
WO-1986004588-A1 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS HURWITZ CHARLES (US) 1986-08-14 WO claimed
EP-2070426-A2 Improved Animal Feedstuff for Ruminants The Glenside Group Limited (GB) 2009-06-17 EP disclosed
CN-1826129-A Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS INC (US) 2006-08-30 CN disclosed
CN-1197618-C mutant cholera holotoxin adjuvant AMERICAN CYANAMID CO (US) 2005-04-20 CN disclosed
CN-1320043-A mutant cholera holotoxin adjuvant AMERICAN CYANAMID CO (US) 2001-10-31 CN disclosed
EP-1117435-A1 MUTANT CHOLERA HOLOTOXIN AS AN ADJUVANT AMERICAN CYANAMID COMPANY (US) 2001-07-25 EP disclosed
WO-2000018434-A1 MUTANT CHOLERA HOLOTOXIN AS AN ADJUVANT AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
EP-0182579-B2 METHOD FOR STABILIZING IMMOBILIZED FIBRINOLYTIC ENZYME UNITIKA LTD. (JP) 1992-08-26 EP disclosed
EP-0094116-A2 Therapeutic granules THE PROCTER & GAMBLE COMPANY (US) 1983-11-16 EP disclosed