SCHEMBL3596181

SCHEMBL3596181

CC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)CCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
PPARG P37231 2/20 0.37
GPR132 Q9UNW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TRPA1 O75762 2/20 0.35
NR4A2 P43354 2/20 0.35

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
SCHEMBL3596185 1.00 PTGER4 (0.37) PTGER4PPARGGPR132ALDH1A1LMNA
SCHEMBL6001905 0.89 PPARG (0.43) PTGER4PPARGALDH1A1LMNA
SCHEMBL7605227 0.87 TRPA1 (0.38) PTGER4PPARGALDH1A1LTB4R2TRPA1
SCHEMBL7605223 0.87 TRPA1 (0.38) PTGER4PPARGALDH1A1LTB4R2TRPA1
SCHEMBL3606823 0.82 NFE2L2 (0.47) PTGER4ALDH1A1LMNATDP1
SCHEMBL3606819 0.82 NFE2L2 (0.47) PTGER4ALDH1A1LMNATDP1
SCHEMBL7622355 0.76 PTGFR (0.50) PTGER4LTB4R2
SCHEMBL6280253 0.75 MAPT (0.52) PTGER4LTB4R2TRPA1
SCHEMBL6280250 0.75 MAPT (0.52) PTGER4LTB4R2TRPA1
SCHEMBL3129248 0.75 HTT (0.55) PTGER4LMNATDP1

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed