SCHEMBL6905907

SCHEMBL6905907

CCCCOC(=O)c1cc(C)c(Br)cc1C(=O)OCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.48
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.44
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6908948 1.00 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4626902 0.95 ESR1 (0.39) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4628147 0.93 ESR1 (0.40) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4626641 0.92 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627559 0.90 TSHR (0.53) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4626618 0.90 ESR1 (0.56) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627576 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627115 0.89 TSHR (0.40) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4628596 0.87 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4625668 0.87 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ATM

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