SCHEMBL818396

SCHEMBL818396

CCCOC(=O)C1=C(C(=O)OCCC)C=C(C)CC=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 3/20 0.36
MAOB P27338 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
GRM6 O15303 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL817901 0.91 TSHR (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL818062 0.90 TSHR (0.49) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL817678 0.89 TSHR (0.43) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL817767 0.88 TSHR (0.50) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL819205 0.81 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL818173 0.80 ALDH1A1 (0.53) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL818082 0.78 TDP1 (0.34) ALDH1A1LMNATSHRTDP1KDM4E
SCHEMBL818524 0.77 ALDH1A1 (0.55) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL21592197 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL817510 0.71 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1ESR1

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