SCHEMBL21116113

SCHEMBL21116113

CCCCCc1ccc(-c2cc3ccc(OCCCC(C)(C)CC(C)(C)CCO)cc3oc2=O)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 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
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 4/20 0.39
BACE1 P56817 3/20 0.39
STS P08842 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL22625244 0.90 MAOB (0.43) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL24595681 0.89 MAOB (0.40) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL24595657 0.88 MAOB (0.39) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL18535599 0.86 MAOB (0.43) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22568818 0.85 GLA (0.45) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL21065622 0.83 MAOB (0.47) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL22624994 0.83 MAOB (0.41) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL21524227 0.82 KDM4E (0.40) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL23316742 0.82 MAOB (0.44) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL23713512 0.82 NPC1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed