SCHEMBL24248347

SCHEMBL24248347

C=Cc1ccc(COc2c(C)c(C)cc(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 4/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TUBB1 Q9H4B7 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAOB P27338 4/20 0.32
▸ ACHE P22303 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CASP3 P42574 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL24294184 0.86 MAPT (0.33) ALDH1A1MAPTNPC1RAB9ATUBB1
SCHEMBL21141917 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13048615 0.81 ALDH1A1 (0.35) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL14867055 0.77 MAPT (0.41) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL25559299 0.76 SMN1; SMN2 (0.39) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL21116926 0.75 MAPT (0.34) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL25594620 0.75 MAPT (0.32) ALDH1A1MAPTNPC1RAB9ACA1
SCHEMBL12299710 0.74 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL14749976 0.72 MAOB (0.42) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL23664989 0.71 PPARG (0.33) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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-3954677-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2022-02-16 — — EP disclosed
Send feedback