SCHEMBL9199359

SCHEMBL9199359

CCCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)NN1C(=O)[C@@H](OC)Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.35
MMP3 P08254 2/20 0.35
REN P00797 2/20 0.35
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ACE P12821 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BIRC2 Q13490 1/20 0.34
CCKBR P32239 1/20 0.34
MMP2 P08253 3/20 0.33

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
SCHEMBL7417159 0.79 MMP1 (0.44) MMP1MMP3RENACECCKBR
SCHEMBL9196774 0.70 EPHX2 (0.42) ACECCKBR
SCHEMBL6159696 0.64 L3MBTL1 (0.44) MMP1MMP3CTSKL3MBTL1BIRC2
SCHEMBL6294116 0.64 MMP2 (0.62) MMP1MMP3ACEBIRC2MMP2
SCHEMBL8055025 0.64 MMP2 (0.77) MMP1MMP3MMP2
SCHEMBL8221385 0.64 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL8221381 0.64 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL8218720 0.64 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL8218717 0.64 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL8218572 0.64 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed