SCHEMBL9500857

SCHEMBL9500857

C=C(CCCCC)C(N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ACER2 Q5QJU3 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HTR2A P28223 1/20 0.41
CSNK1E P49674 1/20 0.40
CERT1 Q9Y5P4 3/20 0.39
NAAA Q02083 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL855605 0.95 NPSR1 (0.42) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL16488395 0.81 LMNA (0.45) ALDH1A1HTR2ALMNA
SCHEMBL15880312 0.81 ASAH1 (0.47) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL15880443 0.79 ASAH1 (0.49) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL10296040 0.79 HDAC1 (0.47) HTR2ATDP1
SCHEMBL8594344 0.77 ASAH1 (0.44) ASAH1ALDH1A1ACER2CES2CES1
Hydrochloric Acid SCHEMBL6670226 0.76 ASAH1 (0.47) ASAH1ALDH1A1ACER2CES2CES1
Hydrochloric Acid SCHEMBL8073106 0.76 ASAH1 (0.43) ASAH1ALDH1A1ACER2CES2CES1
Hydrochloric Acid SCHEMBL4900733 0.76 ASAH1 (0.40) ASAH1ALDH1A1ACER2CES2CES1
Hydrochloric Acid SCHEMBL11054866 0.76 ASAH1 (0.43) ASAH1ALDH1A1ACER2CES2CES1

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-0371378-B1 TEMPORARY COATING OF SPRAYING BOOTHS Henkel Kommanditgesellschaft auf Aktien (DE) 1993-05-12 EP disclosed