SCHEMBL25852161

SCHEMBL25852161

NCC(O)CC1CCCCCC(CC(O)CN)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.41

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
SCHEMBL7784263 1.00 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14382085 0.98 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL23870582 0.91 TP53 (0.38) TP53KDM4EGMNNLMNAMAPT
SCHEMBL29067960 0.87
SCHEMBL29067957 0.87
SCHEMBL23503456 0.87 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL20354169 0.85 KDM4E (0.42) TP53KDM4E
SCHEMBL5101014 0.80 KDM4E (0.39) TP53KDM4E
SCHEMBL28622321 0.78 ALDH1A1 (0.38) TP53KDM4ELMNAMAPT
SCHEMBL7906892 0.78 ALDH1A1 (0.38) TP53KDM4ELMNAMAPT

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
US-11702515-B2 Click chemistry for sealants and adhesives CHEM LINK, INC. (US) 2023-07-18 US disclosed