SCHEMBL9817992

SCHEMBL9817992

NC(=O)C(CCCC(N)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.69
SIRT2 Q8IXJ6 2/20 0.56
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
CTSS P25774 1/20 0.51
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
SIRT1 Q96EB6 1/20 0.47
FOLH1 Q04609 1/20 0.47
CTSK P43235 2/20 0.47
TACR1 P25103 2/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47

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
SCHEMBL3656725 0.92 CTSL (0.58) CTSLSIRT2SLC1A3SLC1A1CTSS
SCHEMBL7996588 0.91 CTSL (0.57) CTSLSIRT2SLC1A3SLC1A1CTSS
SCHEMBL10419670 0.91 CTSL (0.69) CTSLSIRT2CTSSITGB3ITGA2B
SCHEMBL7320626 0.86 CTSL (0.57) CTSLSIRT2SLC1A3SLC1A1CTSS
SCHEMBL7792804 0.86 CTSL (0.66) CTSLSIRT2CTSSITGB3ITGA2B
SCHEMBL7792802 0.86 CTSL (0.66) CTSLSIRT2CTSSITGB3ITGA2B
Lysine SCHEMBL10720682 0.85 ITGB3 (0.60) CTSLSIRT2ITGB3ITGA2BSIRT1
SCHEMBL3251534 0.85 CTSL (0.65) CTSLSIRT2ITGB3ITGA2BSIRT1
SCHEMBL3251530 0.85 CTSL (0.65) CTSLSIRT2ITGB3ITGA2BSIRT1
SCHEMBL10421088 0.84 FOLH1 (0.62) CTSLSIRT2CTSSITGB3ITGA2B

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
EP-0302799-B1 PROCESS FOR THE PREPARATION OF L,L OR D,D OR RACEMIC N6-BENZYLOXYCARBONYL-2,6-DIAMINO-PIMELAMIC ACID RHONE-POULENC SANTE (FR) 1991-10-09 EP claimed
EP-0302799-A2 Process for the preparation of L,L or D,D or racemic N6-benzyloxycarbonyl-2,6-diamino-pimelamic acid RHONE-POULENC SANTE (FR) 1989-02-08 EP disclosed