SCHEMBL3091073

SCHEMBL3091073

O=C(CCCCCCCCC(=O)OCCc1ccsc1)OCCc1ccsc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.44
LTA4H P09960 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL8868533 0.94 NAAA (0.41) NAAADGKALTA4HL3MBTL1ALDH1A1
SCHEMBL1182457 0.93 DGKA (0.58) DGKALTA4HTSHRCHRM5CHRM1
SCHEMBL20538669 0.93 DGKA (0.58) DGKALTA4HTSHRCHRM5CHRM1
SCHEMBL31481673 0.93 DGKA (0.58) DGKALTA4HTSHRCHRM5CHRM1
SCHEMBL17578807 0.89 TDP1 (0.54) NAAAAPPTDP1CHRM5CHRM1
SCHEMBL34470938 0.85 TDP1 (0.51) NAAALTA4HL3MBTL1ALDH1A1POLB
SCHEMBL14502222 0.82 NAAA (0.43) NAAADGKALTA4HL3MBTL1ALDH1A1
SCHEMBL16267407 0.82 CHRM5 (0.46) LTA4HL3MBTL1ALDH1A1POLBOPRM1
SCHEMBL20557014 0.82 TDP1 (0.51) LTA4HL3MBTL1ALDH1A1APPTDP1
SCHEMBL4556686 0.81 ALDH1A1 (0.44) NAAADGKALTA4HL3MBTL1ALDH1A1

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-20100172011-A1 SEMI-ELECTROACTIVE MATERIAL CONTAINING ORGANIC COMPOUNDS HAVING POSITIVE OR NEGATIVE REDOX ACTIVITY, PROCESS AND KIT FOR MANUFACTURING THIS MATERIAL, ELECTRICALLY CONTROLLABLE DEVICE AND GLAZING UNITS USING SUCH A SEMI-ELECTROACTIVE MATERIAL SAINT-GOBAIN GLASS FRANCE (FR) 2010-07-08 US claimed
US-20120309244-A1 ELECTROLYTE MATERIAL SAINT-GOBAIN GLASS FRANCE (FR) 2012-12-06 US disclosed