SCHEMBL7102733

SCHEMBL7102733

COc1cccc(CCNC(=O)C(NC(=O)[C@@H](S)Cc2ccccc2)C(=O)NCCc2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
KMT2A Q03164 1/20 0.47
CNR1 P21554 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MME P08473 1/20 0.46
GPR139 Q6DWJ6 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
SCHEMBL7097735 1.00 RAB9A (0.49) RAB9AOPRM1OPRD1OPRK1MTNR1A
SCHEMBL7104238 0.94 KMT2A (0.48) RAB9AOPRM1OPRD1OPRK1MTNR1A
SCHEMBL7099462 0.89 KMT2A (0.60) RAB9AKMT2AALDH1A1
SCHEMBL7099460 0.89 KMT2A (0.60) RAB9AKMT2AALDH1A1
SCHEMBL7101450 0.86 ALDH1A1 (0.57) RAB9AKMT2APOLBALDH1A1
SCHEMBL7101444 0.86 ALDH1A1 (0.57) RAB9AKMT2APOLBALDH1A1
SCHEMBL7102822 0.85 KMT2A (0.49) RAB9AKMT2APOLBALDH1A1
SCHEMBL7102697 0.85 MME (0.58) KMT2APOLBMME
SCHEMBL7102694 0.85 MME (0.58) KMT2APOLBMME
SCHEMBL7098639 0.83 LMNA (0.53) KMT2AALDH1A1

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