SCHEMBL7307319

SCHEMBL7307319

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.61
CTSL P07711 6/20 0.61
CTSB P07858 4/20 0.61
CTSK P43235 6/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.52
SYK P43405 1/20 0.50
ELANE P08246 1/20 0.49

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
SCHEMBL7307315 1.00 CTSS (0.61) CTSSCTSLCTSBCTSKMEN1
SCHEMBL8211096 1.00 CTSS (0.61) CTSSCTSLCTSBCTSKMEN1
SCHEMBL9295393 0.90 CTSS (0.70) CTSSCTSLCTSBCTSKMEN1
SCHEMBL7300987 0.87 ATM (0.56) CTSSCTSLCTSBCTSKRAB9A
SCHEMBL1152786 0.87 ATM (0.56) CTSSCTSLCTSBCTSKRAB9A
SCHEMBL14648625 0.83 CTSL (0.63) CTSSCTSLCTSBCTSKMEN1
SCHEMBL13572927 0.83 ATM (0.59) CTSSCTSLCTSBCTSKMEN1
SCHEMBL14999596 0.83 ATM (0.59) CTSSCTSLCTSBCTSKMEN1
SCHEMBL6407665 0.83 ATM (0.59) CTSSCTSLCTSBCTSKMEN1
SCHEMBL4092509 0.83 ELANE (0.51) CTSSCTSLCTSBCTSKRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed