SCHEMBL3450323

SCHEMBL3450323

CCCCCCCC/C=C\CCCCCCCCC1=NC(CCN)CN1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
FAAH O00519 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11640985 0.93 HTR2A (0.36) MEN1KMT2A
SCHEMBL8404962 0.93 HTR2A (0.36) MEN1KMT2A
SCHEMBL7778401 0.93 HTR2A (0.36) MEN1KMT2A
SCHEMBL10883098 0.93 HTR2A (0.36) MEN1KMT2A
SCHEMBL11038775 0.90 FAAH (0.33) EPHX2FAAHTRPV1MEN1TP53
SCHEMBL7158875 0.86 EPHX2 (0.38) EPHX2FAAHTRPV1CYP1A2CYP2C19
SCHEMBL9098243 0.86 EPHX2 (0.38) EPHX2FAAHTRPV1CYP1A2CYP2C19
SCHEMBL8721243 0.85 EPHX2 (0.38) EPHX2FAAHTRPV1CYP1A2CYP2C19
Sulfuric Acid SCHEMBL10539699 0.83 EPHX2 (0.41) EPHX2
SCHEMBL217509 0.82 EPHX2 (0.35) EPHX2TRPV1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342553-B1 POLYESTER ESTER DISPERSION IN LIQUID BP CHEMICALS LIMITED (GB) 2002-01-29 US claimed
EP-1137839-A2 METHOD FOR TREATING POLYOLEFINE- OR POLYESTER-BASED FIBERS TO RENDER THEM HYDROPHILIC USING HETEROCYCLES Cognis Deutschland GmbH (DE) 2001-10-04 EP claimed
WO-2000028131-A2 METHOD FOR TREATING POLYOLEFINE- OR POLYESTER-BASED FIBERS TO RENDER THEM HYDROPHILIC USING HETEROCYCLES COGNIS DEUTSCHLAND GMBH (DE) 2000-05-18 WO claimed
EP-1907517-B1 AMINE TUNGSTATES AND DIARYLAMINES IN LUBRICANT COMPOSITIONS KING INDUSTRIES INC (US) 2012-12-05 EP disclosed
US-8080500-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2011-12-20 US disclosed
US-7820602-B2 Amine tungstates and lubricant compositions KING INDUSTRIES, INC. (US) 2010-10-26 US disclosed
US-20090029888-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS KING INDUSTRIES, INC. 2009-01-29 US disclosed
US-20080194440-A1 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS RAVICHANDRAN RAMANATHAN 2008-08-14 US disclosed
EP-1907517-A2 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS King Industries, Inc. (US) 2008-04-09 EP disclosed
US-20070042917-A1 Amine Tungstates and Lubricant Compositions KING INDUSTRIES, INC. 2007-02-22 US disclosed
WO-2007009022-A2 AMINE TUNGSTATES AND LUBRICANT COMPOSITIONS KING INDUSTRIES, INC. (US) 2007-01-18 WO disclosed
WO-1994024413-A1 METHOD FOR INHIBITING SOLIDS FORMATION AND BLENDS FOR USE THEREIN BP CHEMICALS LIMITED (GB) 1994-10-27 WO disclosed
US-4822502-A Imidazoline promoter overbased calcium sulfonates NEC CORPORATION (JP) 1989-04-18 US disclosed