SCHEMBL15935547

SCHEMBL15935547

O=C1CC([C@H]2CC3C(=O)OC(=O)C3c3ccccc32)C(=O)O1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 4/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 3/20 0.30
MAPT P10636 3/20 0.30
HPGD P15428 2/20 0.30
HTR2A P28223 1/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 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
SCHEMBL257601 1.00 ALDH1A1 (0.31) ALDH1A1KMT2AKDM4ELMNAMAPK1
SCHEMBL23395844 1.00 ALDH1A1 (0.31) ALDH1A1KMT2AKDM4ELMNAMAPK1
SCHEMBL29353334 1.00 ALDH1A1 (0.31) ALDH1A1KMT2AKDM4ELMNAMAPK1
SCHEMBL12676004 0.88 ALDH1A1 (0.30) ALDH1A1KMT2AMEN1MAPT
SCHEMBL12110806 0.85 SIRT2 (0.31)
SCHEMBL12172584 0.84 ALDH1A1 (0.32) ALDH1A1KMT2AKDM4ELMNAMAPK1
SCHEMBL352092 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL6295676 0.81 HTR2A (0.35) HTR2A
SCHEMBL12158803 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL29394478 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHPGD

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
WO-2014119682-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2014-08-07 WO disclosed