SCHEMBL7437445

SCHEMBL7437445

O=C(O)c1ncoc1CCNC(=O)[C@H](Cc1ccccc1)S[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
MMP8 P22894 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.35
CYP3A4 P08684 4/20 0.35
GAA P10253 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL7434588 0.83 PPARG (0.36) PTGIRMMP8CYP2C9CYP2D6CYP2C19
SCHEMBL7439214 0.82 MME (0.52) PTGIRMMP8CYP2C9KMT2AMME
SCHEMBL7437456 0.80 ACE (0.39) PTGIRCYP2C9KMT2AMMEPTGER4
SCHEMBL7428167 0.76 MMP8 (0.43) MMP8KMT2AMMECYP3A4
SCHEMBL7435520 0.73 MME (0.41) KMT2AMME
SCHEMBL7431662 0.72 KMT2A (0.53) KMT2A
SCHEMBL7433554 0.71 CTSL (0.40) MMP8MME
SCHEMBL7432590 0.70 HTT (0.53) KMT2A
SCHEMBL7354156 0.69 KMT2A (0.55) KMT2ACYP3A4
SCHEMBL7351604 0.69 MMP8 (0.39) PTGIRMMP8CYP2C9CYP2D6CYP2C19

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