SCHEMBL17808964

SCHEMBL17808964

Cc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(C(=O)c7ccc(Oc8ccc(C(c9ccc(Oc%10ccc(C(=O)c%11ccc(C)cc%11)cc%10)cc9)(C(F)(F)F)C(F)(F)F)cc8)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
MMP13 P45452 2/20 0.39
PDK2 Q15119 6/20 0.38
SRD5A2 P31213 2/20 0.37
MAPK14 Q16539 1/20 0.37
KIF11 P52732 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14514263 0.96 MAPT (0.41) CHRM5MMP13PDK2SRD5A2MAPK14
SCHEMBL13321954 0.96 MAPT (0.41) CHRM5MMP13PDK2SRD5A2MAPK14
SCHEMBL17808965 0.95 PDK2 (0.37) CHRM5MMP13PDK2SRD5A2MAPK14
SCHEMBL822951 0.89 SRD5A2 (0.46) MMP13SRD5A2MAPK14KIF11MAPT
SCHEMBL13252913 0.89 SRD5A2 (0.46) MMP13SRD5A2MAPK14KIF11MAPT
SCHEMBL13663839 0.89 SRD5A2 (0.46) MMP13SRD5A2MAPK14KIF11MAPT
SCHEMBL14498196 0.87 MAPT (0.40) CHRM5PDK2MAPTMAPK1ESR1
SCHEMBL13882640 0.84 RAB9A (0.43) MMP13SRD5A2MAPTMAPK1ALDH1A1
SCHEMBL15760410 0.84 RAB9A (0.43) MMP13SRD5A2MAPTMAPK1ALDH1A1
SCHEMBL9914259 0.84 RAB9A (0.43) MMP13SRD5A2MAPTMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9764276-B2 Resin composition and carbon dioxide gas separation membrane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-19 US disclosed
US-20160158692-A1 RESIN COMPOSITION AND CARBON DIOXIDE GAS SEPARATION MEMBRANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed