SCHEMBL7438890

SCHEMBL7438890

CCOC(=O)c1ncsc1CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
MME P08473 1/20 0.39
REN P00797 1/20 0.39
PTPN1 P18031 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
SCHEMBL7436965 0.96 SMN1; SMN2 (0.40) MMP8ALDH1A1SMN1; SMN2KLKB1KLK1
SCHEMBL7441235 0.95 MME (0.46) MMP8ALDH1A1LMNAMAPTRAB9A
SCHEMBL7434808 0.95 MMP8 (0.43) MMP8LMNAKLKB1KLK1KMT2A
SCHEMBL9414191 0.84 MME (0.52) MMP8KMT2AMME
SCHEMBL7428167 0.78 MMP8 (0.43) MMP8LMNASMN1; SMN2KMT2AMME
SCHEMBL11008763 0.73 MME (0.68) MMP8LMNASMN1; SMN2KMT2AMME
SCHEMBL7433554 0.73 CTSL (0.40) MMP8MAPTSMN1; SMN2MME
SCHEMBL10947239 0.71 ACE (0.56) LMNASMN1; SMN2MMEREN
SCHEMBL9733367 0.71 MME (0.62) LMNAMAPTRAB9ASMN1; SMN2KLKB1
SCHEMBL7280398 0.71 MME (0.62) LMNAMAPTRAB9ASMN1; SMN2KLKB1

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