Ethyl Acetate

Ethyl Acetate

SCHEMBL3359951

CCOC(C)=O.O=C1c2ccccc2COc2ccccc21

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AKR1B1 P15121 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49

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
Ethyl Acetate SCHEMBL28638939 0.86 MAOA (0.61) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
Acetic Acid SCHEMBL343375 0.84 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
Anthrone SCHEMBL27724215 0.83 MAOA (0.58) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL10824721 0.82 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL86392 0.81 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL29375440 0.81 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL11085181 0.80 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL8141977 0.80 AKR1B1 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
Butyric Acid SCHEMBL3359947 0.80 AKR1B1 (0.59) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
Anthrone SCHEMBL28349280 0.79 MAOA (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2666770-A1 Process for obtaining olopatadine and intermediates Crystal Pharma S.A.U (ES) 2013-11-27 EP disclosed
EP-2145882-B1 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA SAU (ES) 2013-08-21 EP disclosed
EP-2145882-A1 Process for obtaining olopatadine and intermediates Ragactives, S.L.U. (ES) 2010-01-20 EP disclosed