SCHEMBL3178459

SCHEMBL3178459

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1c(F)c(=O)oc2ccccc12)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 7/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ BACE1 P56817 11/20 0.41
▸ BACE2 Q9Y5Z0 4/20 0.41
▸ CASP8 Q14790 5/20 0.40
▸ CASP6 P55212 3/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ CASP2 P42575 1/20 0.38

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
SCHEMBL78393 0.89 CASP3 (0.42) CASP3CASP1CASP7CASP9BACE1
SCHEMBL6569052 0.81 BACE1 (0.46) CASP3CASP1CASP7CASP9BACE1
SCHEMBL2168561 0.77 CASP3 (0.41) CASP3CASP1CASP7CASP9BACE1
SCHEMBL77937 0.75 OPRD1 (0.51) CASP3CASP1CASP7BACE1BACE2
SCHEMBL7163106 0.75 BACE1 (0.50) CASP3CASP1CASP7CASP9BACE1
SCHEMBL29396633 0.74 KDM4E (0.41) CASP3CASP1CASP7CASP9BACE1
SCHEMBL7165565 0.73 CASP3 (0.55) CASP3CASP1CASP7CASP9BACE1
SCHEMBL1552674 0.73 KDM4E (0.53) CASP3POLB
SCHEMBL29445883 0.73 KDM4E (0.53) CASP3POLB
SCHEMBL7166887 0.73 CASP3 (0.54) CASP3CASP1CASP7CASP9BACE1

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
US-20100190195-A1 Use of Hepatitis B X-Interacting Protein (HBXIP) in Modulation of Apoptosis THE BURNHAM INSTITUTE 2010-07-29 — — US disclosed
US-7655634-B2 Use of hepatitis B X-interacting protein (HBXIP) in modulation of apoptosis THE BURNHAM INSTITUTE (US) 2010-02-02 — — US disclosed
US-7393666-B2 Use of hepatitis B X-interacting protein (HBXIP) in modulation of apoptosis BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-07-01 — — US disclosed
US-20070270369-A1 USE OF HEPATITIS B X-INTERACTING PROTEIN (HBXIP) IN MODULATION OF APOPTOSIS THE BURNHAM INSTITUTE (US) 2007-11-22 — — US disclosed
US-20060205008-A1 Use of hepatitis B X-interacting protein (HBXIP) in modulation of apoptosis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-09-14 — — US disclosed
US-20040138119-A1 RNA interference or gene expression inhibitors as blocking agents for complexing of endogenous cellular proteins with survivin, intensifying programmed cell death; antitumor or anticarcinogenic agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-15 — — US disclosed
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