SCHEMBL13967308

SCHEMBL13967308

O=C1OC2(CCCCC2)OC(=O)C1=C/C=C(/C=C/C1=C(O)OC2(CCCCC2)OC1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ NPSR1 Q6W5P4 6/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 4/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ PKM P14618 2/20 0.33
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ CASP1 P29466 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
SCHEMBL12715721 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL14255577 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL14197384 0.83 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4RAB9ACRHBP
SCHEMBL13479237 0.80 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL13943010 0.80 SIRT1 (0.45) —
SCHEMBL14527645 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL12216663 0.79 ALDH1A1 (0.37) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL13940444 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL14574036 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ENPSR1CYP1A2CYP3A4
SCHEMBL12743583 0.77 — —

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-20090029093-A1 OPTICAL INFORMATION RECORDING MEDIUM AND PROCESS FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-01-29 — — US disclosed
WO-2007011059-A1 OPTICAL INFORMATION RECORDING MEDIUM, IMAGE-RECORDING METHOD AND METHOD OF UTILIZING A DYE FUJIFILM CORPORATION (JP) 2007-01-25 — — WO disclosed
Send feedback