SCHEMBL7400048

SCHEMBL7400048

CC(Nc1ccccc1C(=O)N1CCOCC1)C(=O)NC(C=CC(=O)O)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.42
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CTSL P07711 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
FOLH1 Q04609 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
SCHEMBL7400045 0.81 FOLH1 (0.43) TGM2SIRT2SIRT1CTSLDPP8
SCHEMBL7359167 0.80 CTSL (0.61) CTSL
SCHEMBL7359170 0.80 CTSL (0.61) CTSL
SCHEMBL7359183 0.80 CTSL (0.61) CTSL
SCHEMBL7359178 0.80 DPP8 (0.46) TGM2SIRT2SIRT1CTSLDPP8
SCHEMBL7400050 0.73 CPB1 (0.38) CTSLCPB1CPB2FOLH1
SCHEMBL10771246 0.71 FOLH1 (0.62) SIRT2SIRT1DPP8DPP7DPP4
SCHEMBL8492550 0.70 CTSL (0.72) CTSL
SCHEMBL7353053 0.70 CTSL (0.72) CTSL
SCHEMBL7353049 0.70 CTSL (0.72) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP claimed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP claimed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO claimed
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