SCHEMBL27778326

SCHEMBL27778326

OCCN=Cc1cccc2ccccc12.OCCN=Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.51
▸ GRIN3B O60391 2/20 0.51
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2B Q13224 2/20 0.51
▸ GRIN2C Q14957 2/20 0.51
▸ GRIN3A Q8TCU5 2/20 0.51
▸ CHAT P28329 1/20 0.48
▸ CA12 O43570 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA9 Q16790 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ GCGR P47871 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL474244 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL474245 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5693725 0.89 CA12 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5588598 0.89 CA12 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5590740 0.85 CA12 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5693805 0.85 CA12 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29133880 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29133877 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5394247 0.77 CA12 (0.50) CA12CA2KDM4ECA9ALDH1A1
SCHEMBL5394241 0.77 CA12 (0.50) CA12CA2KDM4ECA9ALDH1A1

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
CN-101676332-B Thickener composition and method for thickening aqueous systems ROHM & HAAS 2012-06-27 — — CN disclosed
CN-101676332-A Thickener composition and method for thickening aqueous systems ROHM & HAAS 2010-03-24 — — CN disclosed
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