SCHEMBL7104095

SCHEMBL7104095

CC(=S)[C@@H](Cc1ccccc1)C(=O)NC(C(=O)NCCCc1ccccc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.60
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
CNR1 P21554 2/20 0.51
KDM4A O75164 1/20 0.50
CNR2 P34972 1/20 0.48
EPHX2 P34913 4/20 0.47

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
SCHEMBL7104100 1.00 MMP8 (0.60) MMP8CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7104280 0.93 MMP8 (0.52) MMP8KMT2A
SCHEMBL7104285 0.93 MMP8 (0.52) MMP8KMT2A
SCHEMBL7104110 0.89 NAAA (0.48) MMP8KMT2A
SCHEMBL7104103 0.89 NAAA (0.48) MMP8KMT2A
SCHEMBL7104059 0.85 MMP8 (0.56) MMP8
SCHEMBL7104054 0.85 MMP8 (0.56) MMP8
SCHEMBL7098101 0.84 CTSK (0.46) MMP8
SCHEMBL7102745 0.84 KMT2A (0.57) MMP8KMT2A
SCHEMBL7102740 0.84 KMT2A (0.57) MMP8KMT2A

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 2 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