SCHEMBL2816368

SCHEMBL2816368

CCCCCCCCCCCC(Br)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
FDPS P14324 5/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
LAP3 P28838 2/20 0.40
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR4 O95977 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
SCHEMBL29724160 0.84 PPARD (0.41) PPARD
SCHEMBL27935336 0.84 TSHR (0.40) FDPSPPARDCYP3A4L3MBTL1
SCHEMBL4068245 0.81 SMPD1 (0.47) SMPD1FDPSLAP3LPAR3LPAR1
SCHEMBL9492034 0.78 FDPS (0.45) SMPD1FDPSLAP3CYP3A4L3MBTL1
SCHEMBL15353194 0.78 SMPD1 (0.44) SMPD1FDPSLAP3LPAR3LPAR1
SCHEMBL4158111 0.77 LAP3 (0.58) SMPD1FDPSLAP3S1PR2S1PR1
SCHEMBL7836473 0.77 SMPD1 (0.43) SMPD1FDPSLAP3LPAR3LPAR1
SCHEMBL15302820 0.77 SMPD1 (0.43) SMPD1FDPSLAP3CYP3A4L3MBTL1
SCHEMBL2818423 0.77 SMPD1 (0.43) SMPD1FDPSLAP3CYP3A4L3MBTL1
SCHEMBL19955270 0.77 LAP3 (0.58) SMPD1FDPSLAP3S1PR2S1PR1

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-8586758-B2 Preparation of an inorganic substrate having antimicrobial properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-11-19 US disclosed
US-20100249425-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-30 US disclosed