SCHEMBL23955956

SCHEMBL23955956

CCNC(=O)c1ccccc1C(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
BRD4 O60885 2/20 0.48
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HCRTR1 O43613 1/20 0.45
CXCR2 P25025 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 2/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NAAA Q02083 1/20 0.42

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
SCHEMBL31483721 0.90 HTT (0.64) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL26417076 0.90 HTT (0.64) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL13990159 0.83 L3MBTL1 (0.52) HTTTSHRKMT2AL3MBTL1ALDH1A1
SCHEMBL29315261 0.82 HTT (0.56) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL6268376 0.82 KMT2A (0.65) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL13544865 0.82 TSHR (0.56) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL28834724 0.82 HTT (0.56) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL28921174 0.81 HPGD (0.62) HTTTSHRL3MBTL1CA1CA9
SCHEMBL6566957 0.81 TSHR (0.55) HTTTSHRKMT2AL3MBTL1BRD4
SCHEMBL3854000 0.81 BRD4 (0.55) HTTTSHRKMT2AL3MBTL1BRD4

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
EP-2596805-B1 Prodrug comprising a drug-linker conjugate ASCENDIS PHARMA AS (DK) 2021-10-27 EP disclosed