SCHEMBL817510

SCHEMBL817510

CCCOC(=O)C1=C(C(=O)OCCC)CCCC(C)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.39
SLC6A2 P23975 3/20 0.38
CHRM1 P11229 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
GRM6 O15303 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL819466 0.91 TSHR (0.43) ALDH1A1LMNACHRM1TDP1ESR1
SCHEMBL818310 0.90 TSHR (0.44) ALDH1A1MAPTLMNACHRM1TDP1
SCHEMBL819216 0.89 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL819970 0.89 ALDH1A1 (0.46) ALDH1A1MAPTLMNACHRM1ESR1
SCHEMBL818466 0.81 ALDH1A1 (0.41) ALDH1A1MAPTCHRM1TSHRCHRM2
SCHEMBL817353 0.78 ALDH1A1 (0.51) ALDH1A1LMNATDP1TSHRHSD17B10
SCHEMBL233683 0.76 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL818415 0.76 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL817719 0.76 SLC6A3 (0.44) ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL27208678 0.75 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ALMNA

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