SCHEMBL25564452

SCHEMBL25564452

CC(=O)CCCCCCCCC#CC#CCCCCCCCCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.52
▸ PAOX Q6QHF9 3/20 0.48
▸ PTPN7 P35236 4/20 0.47
▸ SELP P16109 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ ACHE P22303 1/20 0.34

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
SCHEMBL10481605 0.89 HMGCR (0.55) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL416648 0.89 HMGCR (0.55) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL2181335 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL2180780 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL4225757 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL15942925 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1KMT2A
SCHEMBL4231623 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL2201502 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL2182049 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH
SCHEMBL1918073 0.84 HMGCR (0.72) HMGCRPTPN7SELPMEN1FAAH

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-4190869-A1 A PRINTING METHOD FOR TIME TEMPERATURE INDICATORS AGFA-GEVAERT NV (BE) 2023-06-07 — — EP disclosed
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