SCHEMBL7622852

SCHEMBL7622852

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O.CCCCCCCCCCCCCC(CF)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.48
CASP1 P29466 4/20 0.47
CASP9 P55211 3/20 0.47
CASP7 P55210 2/20 0.47
SIRT2 Q8IXJ6 6/20 0.46
SIRT1 Q96EB6 4/20 0.46
MME P08473 2/20 0.46
ECE1 P42892 2/20 0.46
CASP4 P49662 2/20 0.44
CASP8 Q14790 2/20 0.44
CASP10 Q92851 2/20 0.44
CASP5 P51878 1/20 0.44
CASP6 P55212 1/20 0.44
SIRT3 Q9NTG7 3/20 0.44
MMP2 P08253 4/20 0.44
MMP1 P03956 2/20 0.44

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
SCHEMBL7628542 0.87 CASP3 (0.45) CASP3CASP1CASP9CASP7SIRT2
SCHEMBL7112627 0.85 CASP3 (0.58) CASP3CASP1CASP9CASP7MME
SCHEMBL3692638 0.85 CASP3 (0.58) CASP3CASP1CASP9CASP7MME
SCHEMBL3140616 0.85 CASP3 (0.62) CASP3CASP1CASP9CASP7MME
SCHEMBL614741 0.85 CASP3 (0.62) CASP3CASP1CASP9CASP7MME
SCHEMBL3692630 0.84 CASP3 (0.56) CASP3CASP1CASP9CASP7MME
SCHEMBL18740358 0.82 CASP3 (0.58) CASP3CASP1CASP9CASP7CASP4
SCHEMBL7383742 0.81 CASP3 (0.67) CASP3CASP1CASP9CASP7MME
SCHEMBL4420464 0.81 CASP3 (0.67) CASP3CASP1CASP9CASP7MME
SCHEMBL24213871 0.80 CASP3 (0.56) CASP3CASP1CASP9CASP7CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100528-B1 USE OF NOVEL AGENTS INDUCING CELL DEATH IN SYNERGY WITH INTERFERONS INST NAT SANTE RECH MED (FR) 2002-10-16 EP disclosed
EP-1100528-A2 USE OF NOVEL AGENTS INDUCING CELL DEATH IN SYNERGY WITH INTERFERONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2001-05-23 EP disclosed
WO-2000007616-A2 USE OF NOVEL AGENTS INDUCING CELL DEATH IN SYNERGY WITH INTERFERONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-02-17 WO disclosed