SCHEMBL7045638

SCHEMBL7045638

C[n+]1ccccc1C=Cc1ccc(C=O)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.45
▸ PABPC1 P11940 3/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ APOBEC3A P31941 3/20 0.37
▸ APOBEC3G Q9HC16 3/20 0.37
▸ CISD1 Q9NZ45 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL7044937 0.87 ALDH1A1 (0.39) RAB9AGAAKMT2AMEN1APOBEC3A
SCHEMBL7047128 0.81 PTGS1 (0.43) GAATDP1ALDH1A1PKMPTGS1
SCHEMBL9623140 0.79 MEN1 (0.40) RAB9AGAAKMT2AMEN1CISD1
SCHEMBL7045635 0.78 RAB9A (0.51) RAB9APABPC1EIF4HGAAKMT2A
SCHEMBL11384770 0.78 RAB9A (0.51) RAB9APABPC1EIF4HGAAKMT2A
SCHEMBL29620204 0.77 RAB9A (0.63) RAB9APABPC1EIF4HGAAKMT2A
SCHEMBL1906631 0.77 RAB9A (0.63) RAB9APABPC1EIF4HGAAKMT2A
SCHEMBL1979985 0.77 RAB9A (0.63) RAB9APABPC1EIF4HGAAKMT2A
SCHEMBL3892102 0.77 PTGS1 (0.43) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL7049655 0.77 RAB9A (0.54) RAB9APABPC1EIF4HGAAKMT2A

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
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
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