SCHEMBL11577809

SCHEMBL11577809

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCN(C)C

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.81
DGKA P23743 1/20 0.67
NAAA Q02083 1/20 0.61
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
HTR2C P28335 1/20 0.54
PAM P19021 2/20 0.51
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL19034524 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL18632645 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL8397743 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL7901746 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL7898266 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL21226019 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL7898648 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL7898793 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
SCHEMBL7890298 1.00 DNM1 (0.81) DNM1DGKANAAAPRSS1PRSS2
Hydrochloric Acid SCHEMBL23668456 0.98 DNM1 (0.78) DNM1DGKANAAAPRSS1PRSS2

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-4128485-A AMIDO OR ESTER QUATERNARY AMMONIUM SALTS COLGATE-PALMOLIVE COMPANY (US) 1978-12-05 US disclosed