SCHEMBL3830783

SCHEMBL3830783

CCCCCCCCC[N+](C)(C(C)(C)CCO)C(CCO)(CCCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.34
EPHX2 P34913 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL11442881 0.78 EPHX2 (0.36) EPHX2
SCHEMBL11128106 0.77 EPHX2 (0.38) EPHX2
SCHEMBL2842390 0.77 APP (0.31)
SCHEMBL127781 0.76 TP53 (0.32) EPHX2
SCHEMBL4659604 0.75
SCHEMBL15939531 0.74 EPHX2 (0.33) EPHX2S1PR1
SCHEMBL8524200 0.73 EPHX2 (0.34) EPHX2
SCHEMBL15689292 0.72 DNM1 (0.47) DNM1
SCHEMBL1304102 0.71 CPT2 (0.38) DNM1
SCHEMBL2542389 0.71 DNM1 (0.40) DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090057618-A1 Corrosion inhibitors containing amphoteric surfactants CLARIANT INTERNATIONAL LTD. 2009-03-05 US disclosed
EP-2031092-A2 Corrosion inhibitors containing amphoteric tensides Clariant International Ltd. (CH) 2009-03-04 EP disclosed