SCHEMBL819729

SCHEMBL819729

CCCCOC(=O)C1=CC(C)=CCCC1C(=O)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 6/20 0.39
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL818445 0.96 TSHR (0.40) L3MBTL1HPGDATMTSHRESR1
SCHEMBL819482 0.95 ALDH1A1 (0.42) TSHRESR1CHRM2CHRM4CHRM5
SCHEMBL818061 0.92 ALDH1A1 (0.36) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL819340 0.85 TLR4 (0.39) L3MBTL1HPGDTSHRCHRM2CHRM4
SCHEMBL819443 0.80 ALDH1A1 (0.47) L3MBTL1ATMTSHRTDP1LMNA
SCHEMBL30483867 0.80 L3MBTL1 (0.42) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL818658 0.78 ALDH1A1 (0.38) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL818752 0.78 TSHR (0.40) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL2344344 0.76 TSHR (0.46) L3MBTL1HPGDATMTSHRTDP1
SCHEMBL30483866 0.76 TSHR (0.43) L3MBTL1HPGDATMTSHRESR1

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