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SCHEMBL10042010

SCHEMBL10042010

C=C(C)C(=O)OC(C)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL812964 0.81 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13159299 0.81 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13343253 0.77 SMN1; SMN2 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL812925 0.77 CA2 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13159282 0.77 CA2 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL813240 0.75 RXFP1 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13159256 0.75 RXFP1 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL12238614 0.74 GAA (0.30) —
SCHEMBL18124227 0.74 CA2 (0.42) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13400128 0.72 ELANE (0.39) ALDH1A1CA2POLB

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
EP-1857477-B1 (METH)ACRYLATE COMPOUND, PROCESS FOR PRODUCTION OF THE COMPOUND, (METH)ACRYLATE COPOLYMER, PROCESS FOR PRODUCTION OF THE COPOLYMER, AND SOFT INTRAOCULAR LENS HOYA CORP (JP) 2012-06-27 — — EP disclosed
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