SCHEMBL6945406

SCHEMBL6945406

CC[C@H](C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
CTSB P07858 2/20 0.56
CTSS P25774 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
CTSK P43235 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
TYR P14679 1/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
CASP3 P42574 2/20 0.47
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL6148841 0.89 ADAMTS4 (0.53) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL221435 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8837339 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL5145628 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8837344 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24734375 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL7264750 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL221434 0.86 CTSL (0.71) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL6147101 0.85 CTSL (0.57) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL24740255 0.82 ALDH1A1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed