SCHEMBL7935627

SCHEMBL7935627

CCCCCCCCCCCCN(C(C)N)C(C)N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.46
OPRM1 P35372 1/20 0.44
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL10597141 0.90 OPRM1 (0.42) DNM1OPRM1PLA2G1BPLA2G2ASPHK1
SCHEMBL817592 0.80 CHRM2 (0.50) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL6366975 0.80 DNM1 (0.46) DNM1OPRM1PLA2G1BPLA2G2ASPHK1
SCHEMBL1039266 0.80 DNM1 (0.46) DNM1OPRM1PLA2G1BPLA2G2ASPHK1
SCHEMBL12791220 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR
SCHEMBL9398013 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR
SCHEMBL12791104 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR
SCHEMBL20746956 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR
SCHEMBL21126455 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR
SCHEMBL2322366 0.79 DNM1 (0.50) DNM1PLA2G1BPLA2G2ASPHK1TSHR

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
US-6214777-B1 CONTAINERS OR CONVEYOR WITH SURFACE COATINGS ECOLAB, INC. 2001-04-10 US disclosed
WO-2001023504-A1 ANTIMICROBIAL LUBRICANTS USEFUL FOR LUBRICATING CONTAINERS, SUCH AS BEVERAGE CONTAINERS, AND CONVEYORS THEREFOR ECOLAB INC. (US) 2001-04-05 WO disclosed
EP-0569358-B1 ANTIMICROBIAL LUBRICANT INCLUDING FATTY ACIDS AND QUATERNARY AMMONIUM COMPOUND ECOLAB INC (US) 1996-02-28 EP disclosed
EP-0569358-A1 ANTIMICROBIAL LUBRICANT INCLUDING FATTY ACID AND QUATERNARY AMMONIUM COMPOUND. ECOLAB INC (US) 1993-11-18 EP disclosed
US-5244589-A Food processing equipment ECOLAB INC. (US) 1993-09-14 US disclosed
WO-1992013048-A1 ANTIMICROBIAL LUBRICANT INCLUDING FATTY ACID AND QUATERNARY AMMONIUM COMPOUND ECOLAB INC. (US) 1992-08-06 WO disclosed