SCHEMBL7436965

SCHEMBL7436965

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCc1scnc1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MMP8 P22894 1/20 0.40
CTSL P07711 5/20 0.40
CTSB P07858 4/20 0.40
CTSS P25774 2/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
PTPN1 P18031 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL7438890 0.96 MMP8 (0.42) SMN1; SMN2MMP8KLKB1KLK1PTPN1
SCHEMBL7434808 0.92 MMP8 (0.43) MMP8KLKB1KLK1PTPN1KMT2A
SCHEMBL7441235 0.91 MME (0.46) SMN1; SMN2MMP8KLKB1KLK1KMT2A
SCHEMBL9414191 0.82 MME (0.52) MMP8KMT2A
SCHEMBL7433554 0.78 CTSL (0.40) SMN1; SMN2MMP8CTSLCTSBCTSS
SCHEMBL7428167 0.76 MMP8 (0.43) SMN1; SMN2MMP8PTPN1KMT2AMEN1
SCHEMBL7434646 0.74 CTSC (0.37) SMN1; SMN2CTSBCTSSCTSKKMT2A
SCHEMBL7434571 0.74 ADAM17 (0.37) SMN1; SMN2
SCHEMBL9864327 0.74 RAB9A (0.52) SMN1; SMN2CTSLCTSB
SCHEMBL9733346 0.74 RAB9A (0.52) SMN1; SMN2CTSLCTSB

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