SCHEMBL10335682

SCHEMBL10335682

Cc1ccc(OC(=O)COC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL9292224 0.89 ADRA1A (0.48) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL10334303 0.88 GAA (0.51) ALDH1A1GAALMNAL3MBTL1TDP1
SCHEMBL10334917 0.85 LMNA (0.51) ALDH1A1GAALMNAL3MBTL1TDP1
SCHEMBL10335664 0.85 IDO1 (0.44) ALDH1A1LMNATDP1KMT2A
SCHEMBL9292651 0.81 MEN1 (0.50) ALDH1A1GAALMNAKMT2AKDM4E
SCHEMBL10334717 0.80 PTPN7 (0.54) ALDH1A1GAALMNANPC1KMT2A
SCHEMBL10334923 0.80 L3MBTL1 (0.51) ALDH1A1L3MBTL1TDP1NPC1KMT2A
SCHEMBL10334699 0.79 LMNA (0.48) ALDH1A1LMNAL3MBTL1NPC1KMT2A
SCHEMBL10334901 0.78 LMNA (0.50) GAALMNAL3MBTL1TDP1NPC1
SCHEMBL28329593 0.78 ALDH1A1 (0.60) ALDH1A1GAALMNAKMT2AMEN1

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed