SCHEMBL9978561

SCHEMBL9978561

CCCCCCCCC=CCCCCCCCC(N)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
FAAH O00519 5/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
SOAT1 P35610 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 3/20 0.36
GMNN O75496 2/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
POLB P06746 2/20 0.36
THRB P10828 2/20 0.36
CETP P11597 2/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL8502189 0.91 GNAO1 (0.43) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL10705422 0.91 GNAO1 (0.43) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL27826968 0.91 GNAO1 (0.43) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL10706538 0.91 GNAO1 (0.43) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL28180343 0.89 FAAH (0.42) FAAHTRPV1MEN1KMT2ATP53
SCHEMBL7023231 0.89 GNAO1 (0.41) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL542927 0.84 SIGMAR1 (0.43) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL27459492 0.81 GNAO1 (0.38) GNAI3GNAO1GNAI1TP53CYP1A2
SCHEMBL14886877 0.81 TRPV1 (0.40) FAAHTRPV1SOAT1CYP3A4LMNA
SCHEMBL1615271 0.78 OPRM1 (0.46) TP53CYP1A2CYP3A4MAPTGMNN

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