SCHEMBL818501

SCHEMBL818501

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 2/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ADORA2B P29275 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL818289 0.92 ALDH1A1 (0.41) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL820015 0.92 L3MBTL1 (0.40) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL818714 0.91 ALDH1A1 (0.43) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL817737 0.86 ALDH1A1 (0.38) ALDH1A1LMNATSHRTDP1NPSR1
SCHEMBL818284 0.80 ALDH1A1 (0.38) ALDH1A1CHRM1TSHRADORA2BCHRM2
SCHEMBL818635 0.78 ALDH1A1 (0.47) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL818058 0.77 ALDH1A1 (0.37) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL2345193 0.72 ALDH1A1 (0.43) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL818264 0.71 ALDH1A1 (0.40) ALDH1A1LMNACHRM1TSHRESR1
SCHEMBL818890 0.71 ALDH1A1 (0.37) ALDH1A1LMNACHRM1TSHRESR1

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