SCHEMBL817767

SCHEMBL817767

CCCCCCOC(=O)C1=C(C(=O)OCCCCCC)C=C(C)CC=C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
ESR1 P03372 3/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL818062 0.99 TSHR (0.49) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL817901 0.94 TSHR (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL818396 0.88 ALDH1A1 (0.45) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL818613 0.82 TSHR (0.58) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL818412 0.81 TSHR (0.57) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL28171683 0.78 ALDH1A1 (0.71) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL28172363 0.77 ALDH1A1 (0.73) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL817659 0.76 TSHR (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7116223 0.75 ALDH1A1 (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL819970 0.74 ALDH1A1 (0.46) TSHRALDH1A1LMNATP53CYP3A4

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