SCHEMBL9538779

SCHEMBL9538779

CCCCCCCCCCCCCC(=O)NC(CC)c1ccccc1C(C)(C)N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
MEN1 O00255 1/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CERT1 Q9Y5P4 3/20 0.43

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
Hydrochloric Acid SCHEMBL9539665 0.99 ALDH1A1 (0.45) ALDH1A1ASAH1ACER2MEN1FAAH
Hydrochloric Acid SCHEMBL28443023 0.99 ALDH1A1 (0.45) ALDH1A1ASAH1ACER2MEN1FAAH
Hydrochloric Acid SCHEMBL28958665 0.92 SOAT2 (0.49) FAAH
SCHEMBL21240022 0.78 ALDH1A1 (0.49) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL2732794 0.78 ASAH1 (0.48) ALDH1A1ASAH1ACER2CERT1
Hydrochloric Acid SCHEMBL28872447 0.77 ALDH1A1 (0.48) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL7196002 0.77 SIGMAR1 (0.33) ALDH1A1
SCHEMBL28217435 0.76 ASAH1 (0.66) ALDH1A1ASAH1ACER2CERT1
Hydrochloric Acid SCHEMBL7054531 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2784441 0.75 KDM4E (0.33) ALDH1A1MAPK1

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-1993000892-A1 PHARMACEUTICAL PREPARATION KRIVOSHEIN JURY SEMENOVICH (UA) 1993-01-21 WO disclosed