SCHEMBL13877535

SCHEMBL13877535

CCCC1(C)CCC2(CC1)OC(=O)C(=C/C=C/C=C/C1=C(O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)OC5(CCC(C)(CCC)CC5)OC3=O)C(=O)O4)OC1=O)C(=O)O2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.34
▸ PTPN1 P18031 1/20 0.30
▸ ACP1 P24666 1/20 0.30
▸ CDC25B P30305 1/20 0.30

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
SCHEMBL12715425 0.91 APP (0.34) APPPTPN1ACP1CDC25B
SCHEMBL12715203 0.90 APP (0.33) APPPTPN1ACP1CDC25B
SCHEMBL12216676 0.90 APP (0.33) APPPTPN1ACP1CDC25B
SCHEMBL12715200 0.89 APP (0.34) APPPTPN1ACP1CDC25B
SCHEMBL12715323 0.88 APP (0.37) APP
SCHEMBL13385115 0.88 APP (0.32) APP
SCHEMBL13911143 0.87 APP (0.32) APP
SCHEMBL14224404 0.87 APP (0.31) APP
SCHEMBL12715210 0.86 ALDH1A1 (0.37) APPPTPN1ACP1CDC25B
SCHEMBL12715139 0.86 APP (0.43) APP

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
US-20090092024-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2009-04-09 — — US disclosed
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