SCHEMBL14562219

SCHEMBL14562219

CC1(C)OC(=O)C(/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C3=C(O)OC(C)(C)OC3=O)C(=O)O4)OC2=O)=C(O)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31

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
SCHEMBL14562238 0.94 APP (0.34) APPALDH1A1KDM4EMEN1PKM
SCHEMBL12715139 0.93 APP (0.43) APP
SCHEMBL14562180 0.91 APP (0.42) APPALDH1A1CYP1A2CYP3A4CRHBP
SCHEMBL12743586 0.88 APP (0.39) APP
SCHEMBL12216525 0.87 ALDH1A1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4MEN1
SCHEMBL12715326 0.86 APP (0.38) APP
SCHEMBL12715178 0.86 APP (0.38) APP
SCHEMBL12216526 0.85 ALDH1A1 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4MEN1
SCHEMBL13397529 0.85 APP (0.50) APPALDH1A1CYP1A2CYP3A4CRHBP
SCHEMBL17085043 0.85 APP (0.50) APPALDH1A1CYP1A2CYP3A4CRHBP

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-20070059641-A1 Optical recording medium and polymethine complex for use in the recording layer of the optical recording medium INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-03-15 — — US disclosed
US-20070059641-A1 Optical recording medium and polymethine complex for use in the recording layer of the optical recording medium INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-03-15 — — US disclosed
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