SCHEMBL25901923

SCHEMBL25901923

C#CCOc1ccc(C2(c3ccc(OCC#C)c(C4(C)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAOB P27338 6/20 0.36
▸ MAOA P21397 3/20 0.35
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 2/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL25706634 0.85 MAOB (0.39) ESR1ESR2MAOBMAOAMAPT
SCHEMBL25901917 0.79 MAOB (0.47) MAOBMAOAMAPTLMNAHPGD
SCHEMBL26216175 0.77 ESR1 (0.48) ESR1ESR2MAOBMAOAMAPT
SCHEMBL25705637 0.77 MAOB (0.43) ESR1ESR2MAOBMAOAMAPT
SCHEMBL25901933 0.76 ESR1 (0.39) ESR1ESR2MAOBMAOAMAPT
SCHEMBL26983396 0.75 ESR1 (0.59) ESR1ESR2MAPTKMT2ALMNA
SCHEMBL25903189 0.75 MAOB (0.34) ESR1ESR2MAOBMAOAMAPT
SCHEMBL13713763 0.74 ESR1 (0.54) ESR1ESR2MAPTTP53GAA
SCHEMBL22820180 0.73 MAOB (0.40) ESR1ESR2MAOBMAOAMAPT
SCHEMBL30314588 0.73 ESR1 (0.56) ESR1ESR2MAPTKMT2ALMNA

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
US-20230236509-A1 A SPIN COATING COMPOSITION COMPRISING A CARBON MATERIAL, A METAL ORGANIC COMPOUND, AND SOLVENT, AND A MANUFACTURING METHOD OF A METAL OXIDE FILM ABOVE A SUBSTRATE MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-27 — — US disclosed
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