SCHEMBL11537745

SCHEMBL11537745

CCCCC(Oc1cc2c(cc1C)OC1(CC2(C)C)CC(C)(C)c2cc(OC(CCCC)C(=O)O)c(C)cc2O1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.36
PPARG P37231 5/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH2 P05091 2/20 0.33
RXRA P19793 3/20 0.32
PTPN1 P18031 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HNF4A P41235 1/20 0.31
PPARD Q03181 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
SCHEMBL11538136 0.96 PPARA (0.35) PPARAPPARGPTGESALOX5ALDH2
SCHEMBL11454689 0.71 PPARA (0.34) PPARAPPARGPTGESALOX5ALDH2
SCHEMBL14012110 0.71 PTGDR2 (0.37) PPARAPPARGRXRAPTGDR2PPARD
SCHEMBL9053920 0.69 TSHR (0.59) PPARAPPARGPTGESALOX5PTGDR2
SCHEMBL13607174 0.69 FTO (0.38) RXRASMN1; SMN2
SCHEMBL24418979 0.69 TSHR (0.49) PPARAPPARGPTGESALOX5ALDH2
SCHEMBL22542327 0.69 SMN1; SMN2 (0.56) PPARAPPARGPTGESALOX5ALDH2
SCHEMBL11538626 0.68
SCHEMBL5053892 0.67 FTO (0.33) PPARARXRAPPARD
SCHEMBL14397590 0.67 PTPN1 (0.40) PTPN1SMN1; SMN2

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-4148656-A SPIROCHROMAN COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-04-10 US disclosed