SCHEMBL9404728

SCHEMBL9404728

COc1ccc(C=Cc2ccc3c(C4=C(c5c(C)n(C)c6ccc(OC)cc56)C(F)(F)C(F)(F)C4(F)F)c(C)sc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ RELA Q04206 3/20 0.34
▸ NFE2L2 Q16236 3/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ MAPT P10636 7/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL9404727 0.93 GAA (0.40) GAARAB9ARELANFE2L2PADI4
SCHEMBL3855911 0.87 RELA (0.41) RELANFE2L2LMNAKDM4EALDH1A1
SCHEMBL3855182 0.83 RELA (0.36) RELANFE2L2MAPTLMNAKDM4E
SCHEMBL3871299 0.81 TUBB1 (0.37) RELANFE2L2MAPTKDM4EHPGD
SCHEMBL3855910 0.79 RELA (0.41) RELANFE2L2LMNAKDM4EALDH1A1
SCHEMBL3853940 0.79 TUBB1 (0.35) RELANFE2L2MAPTKDM4EHPGD
SCHEMBL9574524 0.78 GAA (0.43) GAARAB9AMAPTLMNAKDM4E
SCHEMBL5091528 0.78 TSHR (0.39) GAAMAPTLMNAKDM4EALDH1A1
SCHEMBL3853705 0.77 TUBB1 (0.33) RELANFE2L2MAPTLMNAKDM4E
SCHEMBL4581865 0.77 GAA (0.42) GAARAB9AMAPTKDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6199846-A — — None — — JP disclosed
JP-H06199846-A DIARYLETHENE COMPOUND KANEBO LTD 1994-07-19 — — JP disclosed
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