SCHEMBL13938296

SCHEMBL13938296

CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FOLH1 Q04609 2/20 0.44
BACE1 P56817 1/20 0.44
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
PCNA P12004 2/20 0.43
CHRND Q07001 5/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
EGFR P00533 1/20 0.41
POLB P06746 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41

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
SCHEMBL16021246 0.94 FOLH1 (0.49) ALDH1A1FOLH1EGFRPOLB
SCHEMBL16021241 0.92 ALDH1A1 (0.45) ALDH1A1NPSR1FOLH1PCNAEGFR
SCHEMBL31072235 0.91 ALDH1A1 (0.48) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL13123764 0.91 ALDH1A1 (0.48) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL16021248 0.90 FOLH1 (0.47) ALDH1A1FOLH1PCNAEGFRPOLB
SCHEMBL23864850 0.89 ALDH1A1 (0.47) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL21466071 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL29352083 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL24091032 0.88 ALDH1A1 (0.46) ALDH1A1NPSR1BACE1MDM4MDM2
SCHEMBL21884113 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1BACE1MDM4MDM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778761-B1 INHERENTLY RADIOPAQUE BIORESORBABLE POLYMERS FOR MULTIPLE USES REVA MEDICAL INC (US) 2021-09-29 EP disclosed
US-7473417-B2 Inherently radiopaque bioresorbable polymers for multiple uses REVA MEDICAL, INC. (US) 2009-01-06 US disclosed
US-7473417-B2 Inherently radiopaque bioresorbable polymers for multiple uses REVA MEDICAL, INC. (US) 2009-01-06 US disclosed