SCHEMBL21240022

SCHEMBL21240022

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ASAH1 Q13510 1/20 0.49
ACER2 Q5QJU3 1/20 0.49
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 SCHEMBL28872447 0.99 ALDH1A1 (0.48) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL11268062 0.78 ALDH1A1 (0.54) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL9538779 0.78 ALDH1A1 (0.46) ALDH1A1ASAH1ACER2MEN1FAAH
Hydrochloric Acid SCHEMBL28443023 0.77 ALDH1A1 (0.45) ALDH1A1ASAH1ACER2MEN1FAAH
Hydrochloric Acid SCHEMBL9539665 0.77 ALDH1A1 (0.45) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL4139305 0.74 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL4183115 0.74 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL5599045 0.74 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL9472620 0.74 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2MEN1FAAH
SCHEMBL4139311 0.74 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2MEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048508-A1 SILICONE COMPOSITION FOR RELEASE PAPER OR RELEASE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 US disclosed
EP-3524655-A1 SILICONE COMPOSITION FOR RELEASE PAPER OR RELEASE FILM Shin-Etsu Chemical Co., Ltd. (JP) 2019-08-14 EP disclosed