SCHEMBL818065

SCHEMBL818065

CCOC(=O)C1=CC(C)=CC(C(=O)OCC)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA7 P43166 4/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL819233 0.84 ALDH1A1 (0.40) TSHRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28067821 0.69 TSHR (0.32) GAAMAPK1TSHRCA12CA1
SCHEMBL28067806 0.69 TSHR (0.32) GAAMAPK1TSHRCA12CA1
SCHEMBL26289740 0.68 TSHR (0.36) GAAMAPK1TSHRCA12CA1
SCHEMBL27863877 0.67 CA12 (0.37) GAATSHRCA12CA1CA2
SCHEMBL11604681 0.65 TSHR (0.35) GAATSHRALDH1A1HPGDMAPT
SCHEMBL11313295 0.65 TSHR (0.35) GAATSHRALDH1A1HPGDMAPT
SCHEMBL13969445 0.65 ALDH1A1 (0.42) GAATSHRALDH1A1HPGDMAPT
SCHEMBL28923707 0.64 KMT2A (0.39) GAATSHRALDH1A1HPGDMAPT
SCHEMBL28402044 0.64 KMT2A (0.39) GAATSHRALDH1A1HPGDMAPT

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