SCHEMBL7067062

SCHEMBL7067062

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.39
EPHX2 P34913 4/20 0.39
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7067053 0.92 CNR1 (0.42) MMP8KMT2AHPGDALDH1A1CYP2D6
SCHEMBL7069865 0.89 CNR1 (0.41) MMP8KMT2AHPGDALDH1A1CYP2D6
SCHEMBL7068205 0.86 MMP3 (0.47) KMT2AEPHX2MMP1
SCHEMBL7070491 0.86 MMP2 (0.42) MMP8MMP1FCER2
SCHEMBL7066782 0.79 MMP2 (0.46) KMT2ACNR1EPHX2MMP1
SCHEMBL7072801 0.75 MMP2 (0.56) MMP8MMP1FCER2
SCHEMBL7982890 0.72 ACE (0.52) MMP8KMT2AHPGDALDH1A1CYP2D6
SCHEMBL7982892 0.72 ACE (0.52) MMP8KMT2AHPGDALDH1A1CYP2D6
SCHEMBL8399907 0.67 MMP2 (0.55) MMP1
SCHEMBL4186748 0.63 KMT2A (0.56) MMP8KMT2AHPGDALDH1A1

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-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP claimed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US claimed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed