SCHEMBL8958562

SCHEMBL8958562

CCCCCCCCCCCN(C)CCCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.48
DNM1 Q05193 5/20 0.48
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
PLA2G1B P04054 1/20 0.45
PLA2G2A P14555 1/20 0.45
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL8958250 1.00 GGPS1 (0.48) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL19364106 1.00 GGPS1 (0.48) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL28094543 1.00 GGPS1 (0.48) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL22957162 0.98 GGPS1 (0.46) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL23879755 0.95 GGPS1 (0.48) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL25761406 0.95 GGPS1 (0.44) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL28092012 0.95 GGPS1 (0.44) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL25562392 0.95 GGPS1 (0.44) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL23948096 0.93 GGPS1 (0.41) GGPS1DNM1S1PR2S1PR1S1PR3
SCHEMBL17831487 0.93 GGPS1 (0.46) GGPS1DNM1S1PR2S1PR1S1PR3

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
EP-0542199-B1 Biocidal decylnonyl- and decylisononyl dimethylammonium compounds LONZA AG (US) 1996-01-17 EP disclosed
US-5413722-A Bactericides, algicides, molluscicides LONZA INC. (US) 1995-05-09 US disclosed
US-5290805-A Water treatment; nontoxic, low foaming; bactericides, algicides, molluscicides LONZA INC. (US) 1994-03-01 US disclosed
EP-0542199-A1 Biocidal decylnonyl- and decylisononyl dimethylammonium compounds LONZA INC. (US) 1993-05-19 EP disclosed