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SCHEMBL13664842

SCHEMBL13664842

CCCCCCCOc1ccc(CCC(CCOC)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.49
▸ S1PR4 O95977 6/20 0.40
▸ S1PR5 Q9H228 6/20 0.40
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ AAK1 Q2M2I8 7/20 0.36
▸ S1PR3 Q99500 5/20 0.36
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ S1PR2 O95136 1/20 0.33
▸ LPAR2 Q9HBW0 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
SCHEMBL13851958 0.94 S1PR1 (0.49) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13851955 0.94 S1PR1 (0.50) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13851949 0.90 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13665155 0.88 S1PR1 (0.60) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2466976 0.86 S1PR1 (0.49) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2469682 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13851932 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL12337249 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL12337238 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL86530 0.85 S1PR1 (0.39) S1PR1S1PR4S1PR5AAK1S1PR3

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-2009119858-A1 BENZENE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES 田辺三菱製薬株式会社 (JP) 2009-10-01 — — WO disclosed