SCHEMBL4628284

SCHEMBL4628284

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAOB P27338 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
ALOX15 P16050 3/20 0.39
ESR1 P03372 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL4626833 0.95 THRA (0.39) CA1CA2CA12CA9ESR1
SCHEMBL4628476 0.92 ESR1 (0.47) ESR1KMT2ATSHRTDP1L3MBTL1
SCHEMBL4625675 0.91 CYP4F2 (0.43) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4641200 0.91 ESR1 (0.42) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4625792 0.90 TSHR (0.39) ESR1KMT2ATSHRTHRATHRB
SCHEMBL4628147 0.87 ESR1 (0.40) CA1CA2CA12CA9ALOX15
SCHEMBL4628042 0.87 CYP4F2 (0.41) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4628682 0.87 CYP4F2 (0.41) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4626578 0.87 ESR1 (0.51) CYP4F2CYP4A11MAOBBAZ2BBAZ2A
SCHEMBL4627420 0.86 ESR1 (0.39) CA1CA2CA12CA9ALOX15

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