SCHEMBL818752

SCHEMBL818752

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 6/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL819627 0.97 TSHR (0.42) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL819131 0.96 ALDH1A1 (0.43) TSHRMAPK1CYP3A4TP53ESR1
SCHEMBL818058 0.92 ALDH1A1 (0.37) TSHRTDP1MAPK1CYP3A4TP53
SCHEMBL819762 0.83 ALDH1A1 (0.39) TSHRL3MBTL1TDP1LMNAHPGD
SCHEMBL818110 0.79 L3MBTL1 (0.41) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL30483867 0.78 L3MBTL1 (0.42) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL820015 0.78 L3MBTL1 (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL819729 0.78 L3MBTL1 (0.40) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL818660 0.77 ALDH1A1 (0.39) TSHRTP53ALDH1A1SMN1; SMN2CHRM2
SCHEMBL30483866 0.77 TSHR (0.43) TSHRL3MBTL1MAPK1CYP3A4TP53

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