SCHEMBL9550459

SCHEMBL9550459

CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
DNM1 Q05193 1/20 0.46
PAM P19021 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SCD O00767 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9695229 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9693686 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9190465 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9192229 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9132505 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9130118 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9131696 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9193619 1.00 DGKA (0.53) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9471872 0.98 DGKA (0.50) DGKADNM1PAMPRSS1PRSS2
SCHEMBL9130035 0.94 DGKA (0.51) DGKADNM1PAMPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5059012-A None JP disclosed
JP-H0559012-A PRODUCTION OF IMIDAZOLINE HAVING ESTER GROUP KAO CORP 1993-03-09 JP disclosed
US-5154841-A Cyclizing a polyamine with a fatty acid, ester, acyl halide or anhydride, followed by catalytic esterification with fatty acid ester or glycerides; titanium or tin alkoxides, salts, halides or alkyl halide as catalysts THE PROCTER & GAMBLE COMPANY (US) 1992-10-13 US disclosed
EP-0375029-A2 Process for preparing substituted imidazoline fabric conditioning compounds THE PROCTER & GAMBLE COMPANY (US) 1990-06-27 EP disclosed