SCHEMBL7622355

SCHEMBL7622355

CC(C)(C)[Si](C)(C)Oc1ccccc1CCC(O)CCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 10/20 0.50
PTGER1 P34995 5/20 0.43
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTGER2 P43116 1/20 0.39
DHFR P00374 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL3600337 0.89 PPARG (0.43) PTGFR
SCHEMBL3596181 0.76 PTGER4 (0.37) PTGER4LTB4R2
SCHEMBL3596185 0.76 PTGER4 (0.37) PTGER4LTB4R2
SCHEMBL8697433 0.74 NPSR1 (0.45) NPSR1
SCHEMBL2675279 0.73 ELANE (0.38) NPSR1
SCHEMBL7438547 0.72 NPSR1 (0.36) NPSR1
SCHEMBL19812305 0.71 L3MBTL1 (0.40) NPSR1DHFR
SCHEMBL8700617 0.71 ADRA2A (0.41) NPSR1LTB4RLTB4R2
SCHEMBL19812300 0.71 TAAR1 (0.37) NPSR1
SCHEMBL9853837 0.70 L3MBTL1 (0.44) NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed