SCHEMBL819220

SCHEMBL819220

CCCOC(=O)C1=CC=CCC=C1C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 2/20 0.34
POLB P06746 1/20 0.34
STS P08842 1/20 0.34
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 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
SCHEMBL817434 0.91 TSHR (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL817550 0.91 TSHR (0.45) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL818075 0.89 ALDH1A1 (0.49) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL819133 0.87 TSHR (0.39) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL819445 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CHRM1KDM4E
SCHEMBL3662482 0.79 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL817805 0.78 CRHBP (0.44) LMNATSHRTDP1CHRM1KDM4E
SCHEMBL817802 0.74 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL817764 0.74 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL820004 0.74 ALDH1A1 (0.48) ALDH1A1LMNATSHRTDP1ESR1

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