SCHEMBL5050153

SCHEMBL5050153

COc1cc(-c2cc(OC)c(Br)cc2OC)c(OC)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HTR2A P28223 7/20 0.52
▸ TAAR1 Q96RJ0 3/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL298224 0.91 POLB (0.59) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL28799442 0.86 POLB (0.61) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL30202128 0.86 POLB (0.54) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL580565 0.86 POLB (0.54) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL27143368 0.83 POLB (0.52) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL5057198 0.83 CA12 (0.52) L3MBTL1HTR2AHTR2CMAPT
SCHEMBL1104878 0.82 GRIN2D (0.52) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL30010118 0.81 PRKDC (0.50) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL8502642 0.80 PGR (0.49) POLBHTR2ATAAR1HTR2CMAPT
SCHEMBL18040253 0.79 TNFSF11 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20080138635-A1 Conjugated Organic Molecules for Molecular Electronic Devices NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-06-12 — — US disclosed
WO-2006093467-A1 CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-09-08 — — WO disclosed
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