SCHEMBL13670319

SCHEMBL13670319

CCc1ccc(C(=O)c2ccc(Oc3cccc4c(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cccc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A2 P31213 3/20 0.43
P2RY14 Q15391 1/20 0.43
MMP13 P45452 2/20 0.43
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL13670308 0.95 MAPK14 (0.50) ESR1ESR2MAPK14ALDH1A1HTT
SCHEMBL822847 0.90 LMNA (0.53) ESR1ESR2MAPK14ALDH1A1HTT
SCHEMBL13665732 0.87 SRD5A2 (0.55) ESR1ESR2MAPK14ALDH1A1HTT
SCHEMBL13670310 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTKMT2ALMNA
SCHEMBL13670313 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTKMT2ALMNA
SCHEMBL16995928 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTKMT2ALMNA
SCHEMBL18661573 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTKMT2ALMNA
SCHEMBL19339947 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTKMT2ALMNA
SCHEMBL9914251 0.85 FGFR2 (0.47) ESR1ESR2ALDH1A1HTTKMT2A
SCHEMBL822937 0.84 ALDH1A1 (0.53) ESR1ESR2MAPK14ALDH1A1HTT

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-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed