SCHEMBL7400045

SCHEMBL7400045

C[C@@H](C(=O)NC(C=CC(=O)O)CCCCNC(=O)OCc1ccccc1)N(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
CTSL P07711 2/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TGM2 P21980 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
CTSK P43235 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
SCHEMBL7359183 0.82 CTSL (0.61) CTSLCTSBCTSHCTSK
SCHEMBL7359167 0.82 CTSL (0.61) CTSLCTSBCTSHCTSK
SCHEMBL7359170 0.82 CTSL (0.61) CTSLCTSBCTSHCTSK
SCHEMBL7400048 0.81 TGM2 (0.42) FOLH1SIRT2SIRT1DPP8DPP7
SCHEMBL7359178 0.79 DPP8 (0.46) FOLH1SIRT2SIRT1DPP8DPP7
SCHEMBL7028324 0.74 CTSL (0.51) CTSLCTSBCTSHCTSK
SCHEMBL10771246 0.73 FOLH1 (0.62) FOLH1SIRT2SIRT1DPP8DPP7
SCHEMBL8492550 0.72 CTSL (0.72) CTSLCTSBCTSHCTSK
SCHEMBL7353053 0.72 CTSL (0.72) CTSLCTSBCTSHCTSK
SCHEMBL7353049 0.72 CTSL (0.72) CTSLCTSBCTSHCTSK

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