SCHEMBL7201839

SCHEMBL7201839

CCCCCCCCCCCCCC(Cc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.49
▸ MMP2 P08253 11/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MMP1 P03956 4/20 0.43
▸ MMP3 P08254 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL28807919 0.88 PPARA (0.55) PPARAMMP2MMP9MMP12MMP3
SCHEMBL28807890 0.88 PPARA (0.55) PPARAMMP2MMP9MMP12MMP3
SCHEMBL28807881 0.88 PPARA (0.55) PPARAMMP2MMP9MMP12MMP3
SCHEMBL28947373 0.88 PPARA (0.55) PPARAMMP2MMP9MMP12MMP3
SCHEMBL11376356 0.87 PPARA (0.54) PPARAMMP2MMP9MMP12ALDH1A1
SCHEMBL10809828 0.86 ESR1 (0.50) MMP2MMP1MMP3ALDH1A1
SCHEMBL7005575 0.86 MMP2 (0.44) MMP2MMP1MMP3HPGD
SCHEMBL28211408 0.84 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL5017227 0.84 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL7200913 0.83 EPHX2 (0.48) MMP2MMP1MMP3EPHX2

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
WO-2003010156-A1 METHOD FOR PREPARING $G(A)-HALOGENOALKYLARYLKETONES AND THEIR HALOGENATED INTERMEDIATE PRODUCTS RHODIA CHIMIE (FR) 2003-02-06 — — WO claimed
WO-2003010156-A1 METHOD FOR PREPARING $G(A)-HALOGENOALKYLARYLKETONES AND THEIR HALOGENATED INTERMEDIATE PRODUCTS RHODIA CHIMIE (FR) 2003-02-06 — — WO disclosed
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