SCHEMBL6911640

SCHEMBL6911640

CCCCOC(=O)c1ccc(Br)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.52
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
ESR1 P03372 5/20 0.45
HSD17B10 Q99714 2/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL232582 0.90 TSHR (0.65) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL234756 0.89 HPGD (0.42) TSHRATMALDH1A1LMNATHRB
SCHEMBL4628160 0.87 TSHR (0.54) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL4627304 0.86 TSHR (0.49) TSHRMAPK1ALDH1A1LMNAHPGD
SCHEMBL4626905 0.86 ESR1 (0.52) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL4628527 0.86 ATM (0.60) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL28366858 0.86 TSHR (0.66) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL4626906 0.85 TSHR (0.55) TSHRTDP1L3MBTL1ATMMAPK1
SCHEMBL4628503 0.85 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626673 0.85 TSHR (0.67) TSHRTDP1L3MBTL1ATMMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed