SCHEMBL7982890

SCHEMBL7982890

CC(C)CC(CC(=O)NC(Cc1ccccc1)C(=S)NCCCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
MMP9 P14780 6/20 0.52
MMP2 P08253 5/20 0.52
MMP7 P09237 3/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
MMP1 P03956 4/20 0.48
FCER2 P06734 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MMP8 P22894 6/20 0.47
MMP3 P08254 2/20 0.47
PSMB5 P28074 1/20 0.46
MME P08473 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7982892 1.00 ACE (0.52) ACEMMP9MMP2MMP7MMP12
SCHEMBL7068112 0.91 EPHX2 (0.47) ACEMMP9MMP2MMP7MMP12
SCHEMBL7068109 0.91 EPHX2 (0.47) ACEMMP9MMP2MMP7MMP12
SCHEMBL27522992 0.88 MMP1 (0.49) MMP9MMP2MMP7MMP1FCER2
SCHEMBL7982632 0.88 MMP1 (0.49) MMP9MMP2MMP7MMP1FCER2
SCHEMBL27550386 0.88 MMP1 (0.46) MMP9MMP2MMP7MMP1KMT2A
SCHEMBL7983199 0.85 MMP1 (0.58) ACEMMP9MMP2MMP7MMP12
SCHEMBL7983204 0.85 MMP1 (0.58) ACEMMP9MMP2MMP7MMP12
SCHEMBL7982631 0.82 EPHX2 (0.48) ACEKMT2AALDH1A1HPGDMME
SCHEMBL7067645 0.79 CTSG (0.56) HPGDMMP8MME

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
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed
CN-1289323-A Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2001-03-28 CN disclosed