SCHEMBL21065616

SCHEMBL21065616

C=C(C)C(=O)OCCCCCCCCCCCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL22624976 0.95 MAOB (0.40) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22568769 0.93 MAOB (0.40) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22625336 0.92 MAOB (0.39) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22625339 0.91 MAOB (0.39) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL25848187 0.90 MAOB (0.37) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL21065595 0.89 MAOB (0.45) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL25751858 0.89 MAOB (0.47) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22625157 0.89 MAOB (0.37) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22624995 0.89 MAOB (0.37) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL25848156 0.89 MAOB (0.37) MAOBMAOANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
CN-111712523-B Ophthalmic product composition 爱尔兰眼力健公司 2023-01-03 CN disclosed
US-11359031-B2 Composition for ophthalmological products Johnson & Johnson Surgical Vision, Inc. (US) 2022-06-14 US disclosed
WO-2021233800-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 WO disclosed
US-20200332041-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS MERCK PATENT GMBH (DE) 2020-10-22 US disclosed
CN-111712523-A Ophthalmic product composition 默克专利股份有限公司 2020-09-25 CN disclosed
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed