SCHEMBL2748786

SCHEMBL2748786

COC(=O)C1OC(C)(c2ccccc2)OC1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
ITGA4 P13612 1/20 0.55
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 3/20 0.39
ALOX15 P16050 3/20 0.39
CYP2C9 P11712 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
MMP2 P08253 1/20 0.36

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
SCHEMBL10794880 1.00 ALDH1A1 (0.55) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL731574 0.84 ALDH1A1 (0.66) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL10795196 0.82 TSHR (0.56) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL731575 0.80 MAPT (0.60) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL10566794 0.79 ALDH1A1 (0.51) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL9795583 0.76 ALDH1A1 (0.49) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL8115242 0.76 HTT (0.53) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL570250 0.74 HTT (0.50) ALDH1A1MAPTITGA4HTTMEN1
SCHEMBL12882919 0.73 ALDH1A1 (0.49) ALDH1A1MAPTITGA4HTTATM
SCHEMBL16808506 0.73 ALDH1A1 (0.49) ALDH1A1MAPTITGA4HTTATM

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
US-8178474-B1 Functionalised solid support for alpha-oxoaldehyde synthesis INSTITUT PASTEUR DE LILLE (FR) 2012-05-15 US disclosed