SCHEMBL7428167

SCHEMBL7428167

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCc1ocnc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.43
MME P08473 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ACE P12821 4/20 0.40
ELANE P08246 1/20 0.39
TSHR P16473 1/20 0.39
PTPN1 P18031 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
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
SCHEMBL7439214 0.89 MME (0.52) MMP8MMEACEKMT2A
SCHEMBL7433554 0.87 CTSL (0.40) MMP8MMESMN1; SMN2
SCHEMBL7434808 0.81 MMP8 (0.43) MMP8MMEACEPTPN1LMNA
SCHEMBL7431662 0.81 KMT2A (0.53) PTPN1KMT2A
SCHEMBL7435520 0.80 MME (0.41) MMETSHRKMT2AALOX15
SCHEMBL7434646 0.79 CTSC (0.37) TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL7434571 0.79 ADAM17 (0.37) TSHRSMN1; SMN2
SCHEMBL7438890 0.78 MMP8 (0.42) MMP8MMEPTPN1LMNAKMT2A
SCHEMBL7437445 0.76 PTGIR (0.38) MMP8MMEKMT2ACYP3A4
SCHEMBL7436965 0.76 SMN1; SMN2 (0.40) MMP8PTPN1KMT2AMEN1SMN1; SMN2

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-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed