SCHEMBL3359950

SCHEMBL3359950

CC(=O)OC(C)c1cccc2c1C(=O)c1ccccc1CO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.39

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
SCHEMBL343377 0.78 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL246198 0.74 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9870423 0.74 AKR1B1 (0.42) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL10606249 0.74 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7833003 0.73 MAOA (0.59) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL11271210 0.71 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
Acetic Acid SCHEMBL343375 0.70 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL343281 0.70 KEAP1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL11217585 0.70 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL343740 0.70 MAOA (0.47) 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