SCHEMBL5834050

SCHEMBL5834050

NC(=O)C(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
EPHX1 P07099 1/20 0.47
BCAT2 O15382 1/20 0.46
CYP2D6 P10635 2/20 0.44
SRC P12931 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.42
CTSD P07339 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
EDNRB P24530 1/20 0.41
MC4R P32245 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41
MC3R P41968 1/20 0.41

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
SCHEMBL8109262 0.81 LMNA (0.58) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL28735249 0.81 LMNA (0.52) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL487568 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL487361 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL4887191 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL487880 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL4744699 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL4884477 0.80 DPP4 (0.54) LMNAMAPK1EPHX1BCAT2CYP2D6
SCHEMBL9844153 0.79 EPHX1 (0.48) LMNAMAPK1EPHX1BCAT2CYP2D6
Hydrochloric Acid SCHEMBL487925 0.78 DPP4 (0.52) LMNAMAPK1EPHX1BCAT2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122193-B1 Retro peptides, antibodies thereto and their uses for vaccination and in vitro diagnosis BIOMERIEUX S.A. (FR) 2006-10-17 US claimed
EP-0750508-B1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND $i(IN VITRO) DIAGNOSIS BIOMERIEUX SA (FR) 2003-04-16 EP claimed
EP-0984985-A2 PEPTIDE ANALOGUES, AND THEIR USES IN PARTICULAR IN PHARMACEUTICAL COMPOSITIONS AND FOR DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-03-15 EP claimed
WO-1998050423-A2 PEPTIDE ANALOGUES, AND THEIR USES IN PARTICULAR IN PHARMACEUTICAL COMPOSITIONS AND FOR DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-12 WO claimed
EP-0750508-A1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND $i(IN VITRO) DIAGNOSIS BIOMERIEUX (FR) 1997-01-02 EP claimed
WO-1995024916-A1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND IN VITRO DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1995-09-21 WO claimed
US-7122193-B1 Retro peptides, antibodies thereto and their uses for vaccination and in vitro diagnosis BIOMERIEUX S.A. (FR) 2006-10-17 US disclosed
EP-0750508-B1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND $i(IN VITRO) DIAGNOSIS BIOMERIEUX SA (FR) 2003-04-16 EP disclosed
US-6455244-B1 IMMUNOASSAY USING PEPTIDE DERIVED FROM FOOT-AND-MOUTH DISEASE PROTEIN, INFLUENZA PROTEIN, HISTONE PROTEIN, OR AUTOIMMUNE PROTEIN SSA/RO BIOMERIEUX S.A. (FR) 2002-09-24 US disclosed
EP-0984985-A2 PEPTIDE ANALOGUES, AND THEIR USES IN PARTICULAR IN PHARMACEUTICAL COMPOSITIONS AND FOR DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-03-15 EP disclosed
WO-1998050423-A2 PEPTIDE ANALOGUES, AND THEIR USES IN PARTICULAR IN PHARMACEUTICAL COMPOSITIONS AND FOR DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-12 WO disclosed
EP-0750508-A1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND $i(IN VITRO) DIAGNOSIS BIOMERIEUX (FR) 1997-01-02 EP disclosed
WO-1995024916-A1 RETROPEPTIDES, ANTIBODIES THERETO, AND USES THEREOF FOR VACCINATION AND IN VITRO DIAGNOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1995-09-21 WO disclosed