SCHEMBL19852992

SCHEMBL19852992

O=C1OCC(CCC(COCC(O)COCC2COC(=O)O2)COCC2COC(=O)O2)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP2D6 P10635 4/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL15427608 0.87 ALDH1A1 (0.43) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL22490185 0.85 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL16769341 0.83 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL16450875 0.82 ALDH1A1 (0.44) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL15445678 0.81 ALDH1A1 (0.38) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL16769340 0.80 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL16450907 0.80 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL24245836 0.80 CYP2D6 (0.36) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL21338799 0.76 ALDH1A1 (0.37) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL21432198 0.76 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19MEN1KMT2A

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-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed