SCHEMBL7102600

SCHEMBL7102600

COc1ccc(C)cc1.COc1ccccc1CCNC(=O)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KMT2A Q03164 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.42
CAPN1 P07384 1/20 0.42
MMP8 P22894 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL7101203 0.92 MTNR1A (0.53) MTNR1AMTNR1BKMT2ATAAR1HPGD
SCHEMBL7101199 0.92 MTNR1A (0.53) MTNR1AMTNR1BKMT2ATAAR1HPGD
SCHEMBL7101188 0.91 KMT2A (0.45) MTNR1AMTNR1BKMT2ATAAR1GAA
SCHEMBL7098639 0.87 LMNA (0.53) KMT2AALDH1A1CAPN1
SCHEMBL7104238 0.86 KMT2A (0.48) MTNR1AMTNR1BKMT2ATAAR1ALDH1A1
SCHEMBL7103731 0.85 KMT2A (0.52) KMT2ATAAR1ALDH1A1GAANPC1
SCHEMBL7099462 0.85 KMT2A (0.60) KMT2ATAAR1ALDH1A1GAANPC1
SCHEMBL7099460 0.85 KMT2A (0.60) KMT2ATAAR1ALDH1A1GAANPC1
SCHEMBL7102822 0.83 KMT2A (0.49) KMT2ATAAR1HPGDALDH1A1GAA
SCHEMBL7104049 0.83 KMT2A (0.49) KMT2ATAAR1HPGDALDH1A1GAA

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