SCHEMBL6139065

SCHEMBL6139065

COC(=O)[C@H](OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 2/20 0.43
▸ ENPP1 P22413 2/20 0.43
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ SOAT2 O75908 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ MAP2K3 P46734 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ LPAR1 Q92633 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
SCHEMBL7493489 0.88 ENPP3 (0.43) ENPP3ENPP1FABP3FABP4FABP5
SCHEMBL5671763 0.88 ENPP3 (0.43) ENPP3ENPP1FABP3FABP4FABP5
SCHEMBL6139499 0.81 EPHX2 (0.39) GAAEPHX2ABCB11
SCHEMBL28560399 0.79 ABCB11 (0.39) ABCB11CXCL8
SCHEMBL26301826 0.79 ABCB11 (0.39) ABCB11CXCL8
SCHEMBL2169427 0.79 ABCB11 (0.39) ABCB11CXCL8
SCHEMBL6139230 0.77 PSEN1 (0.43) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL28824902 0.77 PSEN1 (0.43) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL6138912 0.76 MAPK1 (0.39) ABCB11
SCHEMBL28555501 0.76 LMNA (0.42) ABCB11

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
US-6894186-B2 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI-SYNTHELABO (FR) 2005-05-17 — — US claimed
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