SCHEMBL7103984

SCHEMBL7103984

CC(C)(C)OC(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.60
CTSS P25774 4/20 0.58
CA2 P00918 4/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
AKT1 P31749 1/20 0.53
CYP3A4 P08684 4/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 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
SCHEMBL7104136 0.92 CYP2D6 (0.58) CTSKCTSSCTSLCTSBAKT1
SCHEMBL7102367 0.86 ATM (0.59) CTSKCTSSCA2CTSLCTSB
SCHEMBL7098744 0.86 SMN1; SMN2 (0.55) CA2NPC1RAB9A
SCHEMBL8416665 0.86 CA2 (0.72) CTSKCTSSCA2ATM
SCHEMBL6051637 0.86 CTSS (0.74) CTSKCTSSCA2CTSLCTSB
SCHEMBL572740 0.84 IDO1 (0.60) CTSKCTSSCA2CYP3A4NPC1
SCHEMBL10703886 0.84 CTSK (0.61) CTSKCTSSCA2CTSLCTSB
SCHEMBL9006092 0.83 CA2 (0.74) CTSKCTSSCA2CTSLCTSB
SCHEMBL9006099 0.83 CA2 (0.74) CTSKCTSSCA2CTSLCTSB
SCHEMBL7102658 0.83 CTSK (0.49) CTSKCTSSCTSLCTSBAKT1

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed