SCHEMBL6989002

SCHEMBL6989002

CC(CO)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.57
CTSS P25774 4/20 0.57
CTSB P07858 3/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
ATM Q13315 1/20 0.54
CTSK P43235 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50

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
SCHEMBL26047978 0.90 TRPM8 (0.58) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL418783 0.90 TRPM8 (0.58) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL16270356 0.90 MEN1 (0.57) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7411035 0.89 CTSL (0.55) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL24734375 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837344 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221434 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221435 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837339 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL5145628 0.89 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO disclosed