SCHEMBL8044063

SCHEMBL8044063

CC(C(=O)NC(CC(=O)O)C(=O)COC(=O)CC1CCc2ccccc2C1=O)N1CCc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.41
HTR1A P08908 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
CASP3 P42574 2/20 0.35
CASP6 P55212 2/20 0.35
CASP8 Q14790 2/20 0.35
ACHE P22303 1/20 0.35
THRB P10828 1/20 0.35
REN P00797 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 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
SCHEMBL7418639 0.83 CASP3 (0.42) CASP1CASP3CASP6CASP8
SCHEMBL8055976 0.83 CASP1 (0.43) CASP1
SCHEMBL7465656 0.82 CASP1 (0.49) CASP1SDCBPSDC2THRBREN
SCHEMBL7421508 0.81 CASP1 (0.56) CASP1SIGMAR1SDCBPSDC2CASP3
SCHEMBL7418191 0.81 CASP1 (0.55) CASP1CASP3CASP6CASP8
SCHEMBL7473984 0.79 CASP1 (0.45) CASP1CASP3CASP6CASP8
Naphthalene SCHEMBL7422490 0.74 CASP1 (0.40) CASP1
SCHEMBL31446594 0.73 SDCBP (0.47) SDCBPSDC2THRBPSMB1PSMB5
SCHEMBL311763 0.72 THRB (0.52) CASP1SDCBPSDC2CASP3CASP6
SCHEMBL7463690 0.72 CASP1 (0.45) CASP1HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed