SCHEMBL7104238

SCHEMBL7104238

COc1ccc(C)cc1.COc1cccc(CCNC(=O)C(NC(=O)C(S)Cc2ccccc2)C(=O)NCCc2cccc(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
RAB9A P51151 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CAPN1 P07384 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SLC2A1 P11166 1/20 0.44
MMP13 P45452 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL7097735 0.94 RAB9A (0.49) KMT2ARAB9AOPRM1OPRD1OPRK1
SCHEMBL7102733 0.94 RAB9A (0.49) KMT2ARAB9AOPRM1OPRD1OPRK1
SCHEMBL7102822 0.92 KMT2A (0.49) KMT2ACTSLCTSSCTSKRAB9A
SCHEMBL7098639 0.90 LMNA (0.53) KMT2ACAPN1MEN1ALDH1A1LMNA
SCHEMBL7104049 0.89 KMT2A (0.49) KMT2ACTSLCTSSCTSKRAB9A
SCHEMBL7099462 0.88 KMT2A (0.60) KMT2ARAB9ANPC1GAATAAR1
SCHEMBL7099460 0.88 KMT2A (0.60) KMT2ARAB9ANPC1GAATAAR1
SCHEMBL7103731 0.88 KMT2A (0.52) KMT2ACTSLCTSSRAB9ANPC1
SCHEMBL7101188 0.86 KMT2A (0.45) KMT2ACTSLCTSSCTSKRAB9A
SCHEMBL7102600 0.86 MTNR1A (0.46) KMT2ACTSLCTSSCTSKOPRM1

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