SCHEMBL817653

SCHEMBL817653

CC(C)COC(=O)C1=C(C(=O)OCC(C)C)C=CCC=C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX4 Q99571 1/20 0.37

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
SCHEMBL819205 0.82 ALDH1A1 (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL819237 0.79 TSHR (0.50) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL818845 0.76 TSHR (0.49) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL818805 0.76 ALDH1A1 (0.45) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL818173 0.76 ALDH1A1 (0.53) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL819067 0.75 ALDH1A1 (0.63) TSHRALDH1A1TDP1ATML3MBTL1
SCHEMBL817677 0.75 CA12 (0.42) TSHRALDH1A1NPC1RAB9AHTT
SCHEMBL827863 0.74 TSHR (0.70) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL816941 0.74 ALDH1A1 (0.43) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL817659 0.73 TSHR (0.56) TSHRALDH1A1SMN1; SMN2TDP1KDM4E

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