SCHEMBL4626580

SCHEMBL4626580

CCCCc1c(Cl)c(Br)cc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL4628281 0.88 ALOX15 (0.37) MAOBCYP4F2CYP4A11KDM4ENPSR1
SCHEMBL4628478 0.84 ESR1 (0.40) TSHRALDH1A1THRBATMESR1
SCHEMBL4626565 0.84 MAOB (0.39) MAOBCYP4F2CYP4A11KDM4ENPSR1
SCHEMBL4626624 0.84 MAOB (0.39) MAOBCYP4F2CYP4A11KDM4ENPSR1
SCHEMBL4628532 0.80 TSHR (0.42) CYP4F2CYP4A11KDM4ENPSR1RXFP1
SCHEMBL6912251 0.80 ESR1 (0.42) TSHRALDH1A1THRBATMESR1
SCHEMBL4625820 0.80 ESR1 (0.42) TSHRALDH1A1THRBATMESR1
SCHEMBL28816668 0.78 KDM4E (0.45) KDM4ETSHRALDH1A1
SCHEMBL4628635 0.78 CYP4F2 (0.40) MAOBCYP4F2CYP4A11KDM4ENPSR1
SCHEMBL4626577 0.77 TSHR (0.39) KDM4ECA1CA2CA12CA9

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