SCHEMBL818403

SCHEMBL818403

CCCCC(CC)COC(=O)C1=CCCC(C)C=C1C(=O)OCC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CYP3A4 P08684 5/20 0.51
CA2 P00918 3/20 0.51
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL817526 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL818360 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL817954 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL818234 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNATSHRMAPK1
SCHEMBL818362 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4LMNATSHRMAPK1
SCHEMBL817065 0.78 LMNA (0.38) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL818849 0.76 ALDH1A1 (0.57) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL818213 0.75 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL670833 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL10638818 0.74 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2LMNATSHR

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