SCHEMBL11538136

SCHEMBL11538136

CCCCCCCCCCCCC(Oc1cc2c(cc1C)OC1(CC2(C)C)CC(C)(C)c2cc(OC(CCCCCCCCCCCC)C(=O)O)c(C)cc2O1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.35
ALDH2 P05091 2/20 0.35
CTRC Q99895 1/20 0.34
PTPN1 P18031 1/20 0.33
PPARG P37231 5/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
RXRA P19793 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11537745 0.96 PPARA (0.36) PPARAALDH2PTPN1PPARGPTGES
SCHEMBL11542363 0.91 ALDH2 (0.37) ALDH2
SCHEMBL12434166 0.78 ESR1 (0.36) PPARGRXRANR1H3
SCHEMBL11454689 0.76 PPARA (0.34) PPARAALDH2CTRCPTPN1PPARG
SCHEMBL14012110 0.70 PTGDR2 (0.37) PPARAPPARGRXRAPTGDR2
SCHEMBL3622315 0.70 POLB (0.39) PTGDR2SMN1; SMN2
SCHEMBL13607174 0.68 FTO (0.38) RXRASMN1; SMN2
SCHEMBL14565994 0.68 CTRC (0.50) PPARAALDH2CTRCPTPN1PPARG
SCHEMBL30639267 0.67 CTRC (0.54) PPARAALDH2CTRCPPARGPTGES
SCHEMBL3617799 0.67 ALDH1A1 (0.43) SMN1; 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