SCHEMBL14197384

SCHEMBL14197384

CC1(C)OC(=O)C(=C/C=C(/C=C/C2=C(O)OC(C)(C)OC2=O)c2ccccc2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 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
SCHEMBL13943010 0.88 SIRT1 (0.45) SIRT1
SCHEMBL12715721 0.83 ALDH1A1 (0.39) ALDH1A1RAB9ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL13967308 0.83 ALDH1A1 (0.39) ALDH1A1RAB9ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL14602343 0.80 SIRT1 (0.30) SIRT1
SCHEMBL14255577 0.74 ALDH1A1 (0.44) ALDH1A1RAB9ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL14562180 0.73 APP (0.42) ALDH1A1RAB9ACYP1A2APPCYP2C9
SCHEMBL12743583 0.73 — —
SCHEMBL12715217 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17085043 0.71 APP (0.50) ALDH1A1CYP1A2APPCYP3A4SMN1; SMN2
SCHEMBL13943135 0.71 APP (0.50) ALDH1A1CYP1A2APPCYP3A4SMN1; SMN2

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-20080080361-A1 Optical Recording Medium FUJIFILM CORPORATION (JP) 2008-04-03 — — US disclosed
US-20080080361-A1 Optical Recording Medium FUJIFILM CORPORATION (JP) 2008-04-03 — — US disclosed
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