SCHEMBL21116032

SCHEMBL21116032

C=CC(=O)OC(C)(C)CB(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)c(=O)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
STS P08842 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOA P21397 1/20 0.33
PTPN7 P35236 1/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18583697 0.88 THRB (0.40) THRBSTSKDM4EHPGDNPC1
SCHEMBL27105761 0.82 THRB (0.37) THRBSTSKDM4EHPGDNPC1
SCHEMBL25848186 0.82 THRB (0.39) THRBSTSKDM4EHPGDNPC1
SCHEMBL24595649 0.82 THRB (0.39) THRBKDM4EHPGDNPC1RAB9A
SCHEMBL21065595 0.82 MAOB (0.45) THRBSTSKDM4EHPGDNPC1
SCHEMBL29745824 0.82 MAOB (0.45) THRBSTSKDM4EHPGDNPC1
SCHEMBL25848155 0.81 THRB (0.39) THRBSTSKDM4EHPGDNPC1
SCHEMBL21116041 0.81 THRB (0.36) THRBSTSKDM4EALDH1A1MAPT
SCHEMBL23713496 0.81 STS (0.37) THRBSTSKDM4EHPGDNPC1
SCHEMBL22624941 0.81 THRB (0.38) THRBSTSKDM4EHPGDNPC1

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