SCHEMBL818289

SCHEMBL818289

CCCCCOC(=O)C1=CC=CC(C)CC1C(=O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
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
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL818714 0.99 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL820015 0.97 L3MBTL1 (0.40) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL818501 0.92 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL818635 0.80 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL819627 0.78 TSHR (0.42) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL819131 0.77 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL818752 0.75 TSHR (0.40) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL818165 0.73 TSHR (0.45) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL817755 0.73 TSHR (0.42) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL817811 0.72 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1TP53CYP3A4

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