SCHEMBL7358758

SCHEMBL7358758

N=C(N)NCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.58
MAOB P27338 1/20 0.46
TPSAB1 Q15661 2/20 0.45
CTSL P07711 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
CTSS P25774 1/20 0.44
TGM2 P21980 1/20 0.43
SIRT5 Q9NXA8 2/20 0.42
SIRT2 Q8IXJ6 3/20 0.42
SIRT1 Q96EB6 3/20 0.42
SIRT3 Q9NTG7 3/20 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
SCHEMBL4413420 1.00 PTGER4 (0.58) PTGER4MAOBTPSAB1CTSLITGB3
SCHEMBL8495773 0.97 PTGER4 (0.55) PTGER4MAOBTPSAB1CTSLITGB3
SCHEMBL7355085 0.97 PTGER4 (0.55) PTGER4MAOBTPSAB1CTSLITGB3
SCHEMBL5419016 0.97 PTGER4 (0.55) PTGER4MAOBTPSAB1CTSLITGB3
SCHEMBL7698946 0.95 PTGER4 (0.53) PTGER4CTSLCTSSSIRT5
SCHEMBL537968 0.91 PTGER4 (0.55) PTGER4MAOBTPSAB1ITGB3ITGAV
SCHEMBL9022219 0.87 PTGER4 (0.46) PTGER4MAOB
SCHEMBL7402074 0.86 PTGER4 (0.44) PTGER4MAOB
SCHEMBL7402070 0.86 PTGER4 (0.44) PTGER4MAOB
SCHEMBL7260360 0.84 PTGER4 (0.52) PTGER4TPSAB1CTSLITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed