SCHEMBL12637056

SCHEMBL12637056

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1cc(I)c(O)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 6/20 0.46
▸ GRIA1 P42261 6/20 0.46
▸ CHRNA1 P02708 2/20 0.46
▸ CHRNG P07510 2/20 0.46
▸ CHRNB1 P11230 2/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44

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
SCHEMBL12309199 0.92 GRIA1 (0.51) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL31110376 0.92 GRIA1 (0.51) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL275641 0.87 CHRND (0.51) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL31072235 0.87 ALDH1A1 (0.48) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL13123764 0.87 ALDH1A1 (0.48) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL6651722 0.87 ITGB3 (0.58) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL6650599 0.87 ITGB3 (0.58) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL6650597 0.87 ITGB3 (0.58) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL6651343 0.87 ITGB3 (0.58) CHRNDGRIA1CHRNA1CHRNGCHRNB1
SCHEMBL10519976 0.87 ITGB3 (0.58) CHRNDGRIA1CHRNA1CHRNGCHRNB1

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-8703113-B2 Side-chain crystallizable polymers for medical applications REVA MEDICAL INC. (US) 2014-04-22 — — US disclosed
US-7939611-B2 Side-chain crystallizable polymers for medical applications REVA MEDICAL, INC. (US) 2011-05-10 — — US disclosed
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