SCHEMBL31725992

SCHEMBL31725992

C#CCCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.44
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 2/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
HDAC1 Q13547 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
SCHEMBL20634579 0.91 TDP1 (0.45) TDP1ATMMEN1KMT2APOLB
SCHEMBL867922 0.90 CAPN1 (0.47) CAPN1CTSKCTSSMEN1KMT2A
SCHEMBL867921 0.90 CAPN1 (0.47) CAPN1CTSKCTSSMEN1KMT2A
SCHEMBL3728193 0.85 CAPN1 (0.46) CAPN1CTSKCTSSTDP1ATM
SCHEMBL3728197 0.85 CAPN1 (0.46) CAPN1CTSKCTSSTDP1ATM
SCHEMBL20122296 0.85 HDAC1 (0.49) CAPN1CTSKCTSSTDP1ATM
SCHEMBL20902186 0.84 CAPN1 (0.48) CAPN1CTSKCTSSTDP1ATM
SCHEMBL5024804 0.83 MEN1 (0.55) CTSKCTSSTDP1ATMKLK7
SCHEMBL16549447 0.82 CTSK (0.43) CTSKCTSSTDP1ATMKLK7
SCHEMBL19436302 0.82 TDP1 (0.44) CAPN1CTSKCTSSTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed