SCHEMBL30778256

SCHEMBL30778256

C=CCCC(O)(C#Cc1ccccc1)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 3/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL29159290 0.81 MAPT (0.53) MAPTKMT2AFFAR1MMP1MMP9
SCHEMBL30778221 0.79 MAPT (0.48) MAPTFFAR1
SCHEMBL29159304 0.78 MAPT (0.47) MAPTFFAR1
SCHEMBL30778250 0.78 MAPT (0.47) MAPTKMT2AFFAR1MEN1
SCHEMBL30778219 0.78 MAPT (0.54) MAPTMMP1MMP9SMN1; SMN2
SCHEMBL30778195 0.77 MAPT (0.46) MAPT
SCHEMBL30778209 0.76 MAPT (0.47) MAPTKMT2AMEN1MMP1MMP9
SCHEMBL30778246 0.76 MAPT (0.47) MAPTKMT2AFFAR1MEN1MMP1
SCHEMBL30778253 0.76 MAPT (0.47) MAPTMMP1MMP9
SCHEMBL30778216 0.75 MAPT (0.47) MAPTKMT2AMEN1L3MBTL1SMN1; 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
CN-117603027-A Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same 重庆理工大学 2024-02-27 — — CN disclosed
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