SCHEMBL11516929

SCHEMBL11516929

NC1CCC(CC2CCC(NCCCS(=O)(=O)O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.33
APP P05067 1/20 0.32
KMT2A Q03164 2/20 0.32
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL11515521 0.97 SMYD3 (0.33) SMYD3APPKMT2AS1PR4S1PR1
SCHEMBL11516269 0.92 APP (0.38) SMYD3APPS1PR4S1PR1S1PR3
SCHEMBL28253298 0.89 SMYD3 (0.34) SMYD3KMT2A
SCHEMBL11518409 0.89 APP (0.38) SMYD3APPS1PR4S1PR1S1PR3
SCHEMBL917789 0.83 APP (0.39) SMYD3APPKMT2AS1PR4S1PR1
SCHEMBL21518353 0.80 APP (0.39) SMYD3APPKMT2AS1PR4S1PR1
SCHEMBL11515523 0.78 APP (0.36) SMYD3APPS1PR1S1PR3
SCHEMBL29272706 0.77 SMYD3 (0.31) SMYD3
SCHEMBL918520 0.77 CXCR4 (0.44) APPKMT2AS1PR4S1PR1S1PR3
SCHEMBL918238 0.77 S1PR4 (0.41) APPKMT2AS1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156675-A ANTISTATIC PROPERTIES, ELECTROLYTES, SURFACTANTS NHK SPRING CO., LTD. (JP) 1979-05-29 US disclosed