SCHEMBL819205

SCHEMBL819205

CC1=CC(C(=O)OCC(C)C)=C(C(=O)OCC(C)C)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL817678 0.85 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2MAPTHTT
SCHEMBL817653 0.82 TSHR (0.55) ALDH1A1TSHRGPR35SMN1; SMN2MAPT
SCHEMBL818396 0.81 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL818524 0.80 ALDH1A1 (0.55) ALDH1A1TSHRTDP1ATM
SCHEMBL818082 0.78 TDP1 (0.34) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL818062 0.78 TSHR (0.49) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL817767 0.77 TSHR (0.50) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL818466 0.73 ALDH1A1 (0.41) ALDH1A1TSHRGPR35SMN1; SMN2MAPT
SCHEMBL818845 0.70 TSHR (0.49) ALDH1A1TSHRGPR35SMN1; SMN2MAPT
SCHEMBL818805 0.70 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MAPTHTT

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-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed