SCHEMBL21065611

SCHEMBL21065611

[CH2]CCCCCCCCCCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL21065582 0.92 GPR55 (0.39) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL23316804 0.91 MAOB (0.44) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL22568808 0.89 GLA (0.43) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL29745884 0.88 MAOB (0.45) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL21065595 0.88 MAOB (0.45) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL29745824 0.88 MAOB (0.45) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL21065616 0.88 MAOB (0.45) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL21065622 0.88 MAOB (0.47) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL23542240 0.88 MAOB (0.43) MAOBMAOAKDM4EHPGDSMN1; SMN2
SCHEMBL23542250 0.88 MAOB (0.43) MAOBMAOAKDM4EHPGDSMN1; SMN2

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
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed