SCHEMBL6912031

SCHEMBL6912031

CCCCCCCC/C=C\CCCCCCCC[N+](N)(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.48
TRPV1 Q8NER1 1/20 0.48
SOAT1 P35610 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
DNM1 Q05193 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TERT O14746 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7777104 0.83 FAAH (0.52) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL9679851 0.80 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4DNM1
SCHEMBL9679829 0.80 SLC22A1 (0.68) FAAHTRPV1TP53CYP3A4DNM1
SCHEMBL10524272 0.78 DNM1 (0.65) FAAHTRPV1TP53CYP3A4DNM1
Bromide SCHEMBL29165781 0.78 ALDH1A1 (0.70) FAAHTRPV1TP53CYP3A4DNM1
SCHEMBL18525110 0.78 SLC22A1 (0.65) FAAHTRPV1TP53CYP3A4DNM1
SCHEMBL8634244 0.78 SLC22A1 (0.65) FAAHTRPV1TP53CYP3A4DNM1
SCHEMBL21240017 0.77 FAAH (0.50) FAAHTRPV1KMT2ADNM1
Water SCHEMBL27930003 0.77 FAAH (0.67) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL23040322 0.76 FAAH (0.74) FAAHTRPV1SOAT1CYP1A2CYP2C19

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
US-20120152148-A1 NON-BUFFING WAX EMULSION COMPOSITION HONEYWELL INTERNATIONAL INC. (US) 2012-06-21 US disclosed
EP-0943644-B1 Salt stable cationic silicone oil-in-water microemulsion DOW CORNING (US) 2004-07-14 EP disclosed
US-5969038-A CONTAINING ORGAINC OR INORGANIC SALT DOW CORNING CORPORATION (US) 1999-10-19 US disclosed
EP-0943644-A1 Salt stable cationic silicone oil-in-water microemulsion DOW CORNING CORPORATION (US) 1999-09-22 EP disclosed