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SCHEMBL5800345

SCHEMBL5800345

CCOc1ccc(CCCCCOc2ccc(CNC3CCC(C(=O)O)(C(=O)O)C3)cc2)cc1Cl.O=C(O)C1(C(=O)O)CCC(NCc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.47
▸ S1PR5 Q9H228 13/20 0.47
▸ S1PR4 O95977 12/20 0.47
▸ S1PR3 Q99500 9/20 0.47
▸ PPARA Q07869 4/20 0.36
▸ LTB4R Q15722 2/20 0.35
▸ LTB4R2 Q9NPC1 2/20 0.35
▸ PPARD Q03181 1/20 0.33
▸ CCR2 P41597 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
SCHEMBL4300201 0.85 S1PR1 (0.57) S1PR1S1PR5S1PR4S1PR3CCR2
SCHEMBL4287080 0.85 PPARA (0.40) PPARALTB4RLTB4R2PPARD
SCHEMBL13659717 0.85 PPARA (0.40) PPARALTB4RLTB4R2PPARD
Hydrochloric Acid SCHEMBL4296373 0.84 PPARA (0.40) PPARALTB4RLTB4R2PPARD
SCHEMBL4286843 0.79 S1PR1 (0.61) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4289141 0.78 PPARA (0.39) PPARALTB4RLTB4R2PPARD
Hydrochloric Acid SCHEMBL4633607 0.75 PPARA (0.39) PPARALTB4RLTB4R2PPARD
SCHEMBL13659714 0.74 HRH3 (0.34) S1PR1PPARAPPARDCCR2
SCHEMBL5795188 0.74 S1PR1 (0.43) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4287128 0.73 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3

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-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 — — WO disclosed