SCHEMBL7200913

SCHEMBL7200913

CCCCCCCCCCCCCC(Cc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ EPHX1 P07099 3/20 0.47
▸ PNMT P11086 1/20 0.45
▸ MMP2 P08253 9/20 0.43
▸ MMP1 P03956 4/20 0.43
▸ MMP3 P08254 4/20 0.43

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
SCHEMBL7201839 0.83 PPARA (0.49) EPHX2MMP2MMP1MMP3
SCHEMBL5017227 0.83 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL28211408 0.83 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL2945682 0.81 MMP2 (0.55) MMP2MMP1MMP3
SCHEMBL7202278 0.79 EPHX2 (0.46) EPHX2EPHX1PNMT
SCHEMBL2948787 0.76 FOLH1 (0.54) MMP2MMP1MMP3
SCHEMBL8728655 0.76 FOLH1 (0.54) MMP2MMP1MMP3
SCHEMBL4781067 0.76 PNMT (0.59) PNMT
SCHEMBL3250770 0.76 TDP1 (0.51) MMP2MMP1MMP3
SCHEMBL10809828 0.76 ESR1 (0.50) MMP2MMP1MMP3

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
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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