SCHEMBL966796

SCHEMBL966796

C=C(C)C(=O)NCCC[N+](C)(C)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
LSS P48449 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
TGFBR1 P36897 1/20 0.31
CBLB Q13191 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29988049 0.95 KDM4E (0.38) KDM4EMAPK1HIF1ALSSKMT2A
SCHEMBL25422694 0.85 ACHE (0.43) KDM4EMAPK1HIF1AKMT2AATM
SCHEMBL33607 0.85 ACHE (0.43) KDM4EMAPK1HIF1AKMT2AATM
SCHEMBL21587580 0.83 KDM4E (0.35) KDM4EMAPK1HIF1AKMT2AATM
Hydrochloric Acid SCHEMBL21827668 0.83 ACHE (0.42) KDM4EMAPK1HIF1AKMT2AATM
Hydrochloric Acid SCHEMBL61004 0.83 ACHE (0.42) KDM4EMAPK1HIF1AKMT2AATM
Iodide SCHEMBL23607568 0.83 ACHE (0.42) KDM4EMAPK1HIF1AKMT2AATM
SCHEMBL21783321 0.83 CBLB (0.43) KDM4EMAPK1HIF1AKMT2AATM
Fluoride Ion SCHEMBL8578974 0.83 ACHE (0.42) KDM4EMAPK1HIF1AKMT2AATM
Bromide SCHEMBL718176 0.83 ACHE (0.42) KDM4EMAPK1HIF1AKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719785-B1 WATER-SOLUBLE RESIN, COSMETIC HAIR PREPARATION CONTAINING THE SAME, AND SILICONE OIL ADSORPTION AID MITSUBISHI CHEM CORP (JP) 2013-04-24 EP disclosed
US-8236911-B2 Water-soluble resin, hair cosmetic material containing the same, and silicone oil adsorption assistant MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-07 US disclosed
US-20110014147-A1 WATER-SOLUBLE RESIN, HAIR COSMETIC MATERIAL CONTAINING THE SAME, AND SILICONE OIL ADSORPTION ASSISTANT MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20070167593-A1 Water-soluble resin, hair cosmetic material containing the same, and silicone oil adsorption assistant MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-19 US disclosed
EP-1719785-A1 WATER-SOLUBLE RESIN, COSMETIC HAIR PREPARATION CONTAINING THE SAME, AND SILICONE OIL ADSORPTION AID Mitsubishi Chemical Corporation (JP) 2006-11-08 EP disclosed
WO-2005074868-A1 HAIR COSMETIC MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2005-08-18 WO disclosed