SCHEMBL818337

SCHEMBL818337

CCCOC(=O)C1=CC=C(C)C=CC1C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.36
ESR1 P03372 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM1 Q13255 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
STS P08842 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL818655 0.92 TSHR (0.41) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL817673 0.92 TSHR (0.43) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818913 0.91 ALDH1A1 (0.44) ALDH1A1LMNATSHRESR1TP53
SCHEMBL819817 0.87 TSHR (0.36) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818264 0.79 ALDH1A1 (0.40) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL817301 0.79 ALDH1A1 (0.37) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818696 0.79 ALDH1A1 (0.37) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818604 0.79 TSHR (0.40) ALDH1A1TSHRCHRM1TP53MAPT
SCHEMBL819497 0.71 TSHR (0.43) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL818165 0.71 TSHR (0.45) ALDH1A1LMNATSHRESR1TDP1

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