SCHEMBL7434808

SCHEMBL7434808

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCc1scnc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PKM P14618 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 4/20 0.40
ABCB11 O95342 1/20 0.40
PTPN1 P18031 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7438890 0.95 MMP8 (0.42) MMP8KLKB1KLK1PKMMME
SCHEMBL7436965 0.92 SMN1; SMN2 (0.40) MMP8KLKB1KLK1PKMPTPN1
SCHEMBL9414191 0.89 MME (0.52) MMP8MMEACEKMT2A
SCHEMBL7441235 0.89 MME (0.46) MMP8KLKB1KLK1MMEACE
SCHEMBL7428167 0.81 MMP8 (0.43) MMP8MMEACEPTPN1LMNA
SCHEMBL11008763 0.75 MME (0.68) MMP8MMEACEABCB11LMNA
SCHEMBL7350611 0.74 KMT2A (0.54) KMT2AMEN1
SCHEMBL10947239 0.73 ACE (0.56) MMEACEABCB11LMNA
SCHEMBL9733367 0.73 MME (0.62) KLKB1MMEACELMNAKMT2A
SCHEMBL7280398 0.73 MME (0.62) KLKB1MMEACELMNAKMT2A

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