SCHEMBL4628147

SCHEMBL4628147

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4626902 0.96 ESR1 (0.39) ESR1KDM4ETSHRTDP1L3MBTL1
SCHEMBL6908948 0.93 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6905907 0.93 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4641200 0.93 ESR1 (0.42) ESR1KDM4ENPSR1RXFP1TSHR
SCHEMBL4627115 0.90 TSHR (0.40) ESR1KDM4ETSHRTDP1L3MBTL1
SCHEMBL4625761 0.90 TSHR (0.43) ESR1KDM4ETSHRTDP1L3MBTL1
SCHEMBL4627420 0.88 ESR1 (0.39) ESR1KDM4ENPSR1RXFP1TSHR
SCHEMBL4628590 0.87 ESR1 (0.43) ESR1KDM4ETSHRTDP1L3MBTL1
SCHEMBL4628284 0.87 CYP4F2 (0.42) ESR1KDM4ENPSR1RXFP1TSHR
SCHEMBL4625696 0.85 KMT2A (0.44) ESR1KDM4ETSHRTDP1L3MBTL1

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