SCHEMBL5819787

SCHEMBL5819787

CCCCCCCCCCOc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)O)C2)cc1Cl.CCCCCCCCCOc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)O)C2)cc1Cl.CCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)N(C)C)C2)cc1.CCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)NCC)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR2 P34972 7/20 0.32
CNR1 P21554 6/20 0.32
ATM Q13315 1/20 0.32
CCR2 P41597 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5819790 0.91 S1PR1 (0.37) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4433994 0.83 THRA (0.48) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4289276 0.83 THRA (0.48) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL5795188 0.82 S1PR1 (0.43) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4287826 0.81 S1PR2 (0.49) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4294265 0.81 S1PR2 (0.49) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4289431 0.81 S1PR2 (0.49) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4294716 0.80 S1PR1 (0.49) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL4289649 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL4293664 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR2S1PR4S1PR5

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