SCHEMBL13670332

SCHEMBL13670332

CCc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
MMP13 P45452 3/20 0.44
P2RY14 Q15391 1/20 0.44
SRD5A2 P31213 4/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
CHRNA7 P36544 1/20 0.41
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL822793 0.91 SRD5A2 (0.52) MAPK14MMP13SRD5A2HTTSMN1; SMN2
SCHEMBL14599493 0.91 MMP13 (0.53) MAPK14MMP13SRD5A2HTTSMN1; SMN2
SCHEMBL758563 0.91 MMP13 (0.53) MAPK14MMP13SRD5A2HTTSMN1; SMN2
SCHEMBL14511013 0.91 MMP13 (0.53) MAPK14MMP13SRD5A2HTTSMN1; SMN2
SCHEMBL10030390 0.89 HTR2A (0.40) MAPK14MMP13P2RY14HTTSMN1; SMN2
SCHEMBL13665766 0.86 SRD5A2 (0.51) MAPK14MMP13SRD5A2KMT2AMEN1
SCHEMBL13670310 0.86 ALDH1A1 (0.55) MAPK14MMP13P2RY14SRD5A2HTT
SCHEMBL13670313 0.86 ALDH1A1 (0.55) MAPK14MMP13P2RY14SRD5A2HTT
SCHEMBL16995928 0.86 ALDH1A1 (0.55) MAPK14MMP13P2RY14SRD5A2HTT
SCHEMBL19339947 0.86 ALDH1A1 (0.55) MAPK14MMP13P2RY14SRD5A2HTT

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