SCHEMBL9978559

SCHEMBL9978559

NC(=O)CCCCCCC/C=C\CCCCCCCCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
SOAT1 P35610 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.45
CXCR4 P61073 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
PAOX Q6QHF9 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 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
SCHEMBL15743490 0.90 CXCR4 (0.53) KDM4ECXCR4L3MBTL1PAOXALDH1A1
SCHEMBL1076280 0.88 CXCR4 (0.50) MEN1CYP1A2KMT2AKDM4ECXCR4
SCHEMBL613914 0.83 L3MBTL1 (0.50) CYP1A2KDM4ECXCR4L3MBTL1ALDH1A1
SCHEMBL28706410 0.81 L3MBTL1 (0.48) CYP1A2KDM4ECXCR4L3MBTL1ALDH1A1
SCHEMBL28716335 0.81 L3MBTL1 (0.48) CYP1A2KDM4ECXCR4L3MBTL1ALDH1A1
Methylpiperazine SCHEMBL29009614 0.81 FAAH (0.66) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL18784676 0.80 CXCR4 (0.50) CXCR4
SCHEMBL8859810 0.78 L3MBTL1 (0.46) MEN1KMT2AKDM4ECXCR4L3MBTL1
SCHEMBL1900720 0.77 L3MBTL1 (0.63) MEN1KMT2AKDM4ECXCR4L3MBTL1
SCHEMBL10665801 0.77 GNAO1 (0.54) FAAHCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576635-B1 FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE STEPAN CO (US) 2017-09-13 EP disclosed
US-9475955-B2 Film forming coating compositions containing carboxamide coalescing solvents and methods of use STEPAN COMPANY (US) 2016-10-25 US disclosed
US-20150361292-A1 FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE STEPAN CO (US) 2015-12-17 US disclosed
US-9150740-B2 Film forming coating compositions containing carboxamide coalescing solvents and methods of use STEPAN COMPANY (US) 2015-10-06 US disclosed
US-20130143986-A1 FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE STEPAN COMPANY 2013-06-06 US disclosed
EP-2576635-A1 FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE Stepan Company (US) 2013-04-10 EP disclosed
WO-2011149830-A1 FILM FORMING COATING COMPOSITIONS CONTAINING CARBOXAMIDE COALESCING SOLVENTS AND METHODS OF USE STEPAN COMPANY (US) 2011-12-01 WO disclosed