SCHEMBL7101188

SCHEMBL7101188

COc1ccc(C)cc1.Cc1ccccc1CCNC(=O)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MME P08473 2/20 0.41
CAPN1 P07384 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 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
SCHEMBL7102600 0.91 MTNR1A (0.46) KMT2AMTNR1AMTNR1BMMP8CTSL
SCHEMBL7098915 0.90 MME (0.50) KMT2AMEN1MMP8MME
SCHEMBL7098908 0.90 MME (0.50) KMT2AMEN1MMP8MME
SCHEMBL7104238 0.86 KMT2A (0.48) KMT2AMEN1MTNR1AMTNR1BCTSL
SCHEMBL7103731 0.86 KMT2A (0.52) KMT2AMMP8CTSLCTSSNPC1
SCHEMBL7099462 0.86 KMT2A (0.60) KMT2AMEN1NPC1GAARAB9A
SCHEMBL7099460 0.86 KMT2A (0.60) KMT2AMEN1NPC1GAARAB9A
SCHEMBL7102822 0.84 KMT2A (0.49) KMT2AMEN1CTSLCTSSCTSK
SCHEMBL7098639 0.84 LMNA (0.53) KMT2AMEN1CAPN1PLAAT3PLAAT5
SCHEMBL7104049 0.83 KMT2A (0.49) KMT2AMMP8CTSLCTSSCTSK

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