SCHEMBL4628433

SCHEMBL4628433

CCCCOC(=O)c1cc(Br)c(CC)c(CC(C)(C)C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL4625727 0.88 ATM (0.45) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4628628 0.88 KDM4E (0.38) TSHRL3MBTL1ALDH1A1MAPK1HSD17B10
SCHEMBL6912251 0.87 ESR1 (0.42) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4628025 0.87 TSHR (0.43) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627324 0.86 TSHR (0.42) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4626609 0.86 KMT2A (0.43) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4627820 0.84 ATM (0.42) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627134 0.84 ESR1 (0.43) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4626501 0.83 TSHR (0.47) ESR1TSHRTDP1L3MBTL1ATM
SCHEMBL4627851 0.82 TSHR (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed