SCHEMBL7345928

SCHEMBL7345928

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
CASP1 P29466 1/20 0.49
SIRT5 Q9NXA8 6/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
FOLH1 Q04609 1/20 0.44
TACR1 P25103 1/20 0.43
TPSAB1 Q15661 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL7345450 0.89 ITGB3 (0.48) PTGER4TPSAB1
SCHEMBL7345936 0.86 ITGB3 (0.46)
SCHEMBL18440712 0.86 CPB1 (0.52) PTGER4SIRT5CTSLCTSSFOLH1
SCHEMBL19788375 0.83 CPB1 (0.49) PTGER4CTSLCTSSTPSAB1
SCHEMBL16455694 0.82 CTSL (0.54) CTSLCTSSTPSAB1
SCHEMBL17002535 0.82 CTSL (0.48) PTGER4CTSLCTSSTPSAB1
Hydrochloric Acid SCHEMBL6751321 0.82 PTGER4 (0.48) PTGER4F10PLGPRSS1
SCHEMBL8595159 0.82 CTSL (0.54) PTGER4CTSLCTSSFOLH1TACR1
SCHEMBL10792006 0.82 CTSL (0.54) PTGER4CTSLCTSSFOLH1TACR1
SCHEMBL7353534 0.82 ITGB3 (0.45) F10PRSS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP claimed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP claimed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO claimed
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed