SCHEMBL13670308

SCHEMBL13670308

CCc1ccc(C(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
SRD5A2 P31213 5/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
P2RY14 Q15391 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 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
SCHEMBL13670319 0.95 ESR1 (0.50) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL822937 0.90 ALDH1A1 (0.53) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL13665716 0.88 SRD5A2 (0.56) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL13670313 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL18661573 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL16995928 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL13670310 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL19339947 0.85 ALDH1A1 (0.55) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL12769555 0.85 ALDH1A1 (0.47) MAPK14ALDH1A1HTTLMNAKMT2A
SCHEMBL9914255 0.85 MAPT (0.52) ALDH1A1HTTLMNAKMT2ASMN1; 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-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed