SCHEMBL4628624

SCHEMBL4628624

CCOC(=O)c1cc(Br)c(C)c(C(C)(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL4625610 0.86 MAPK1 (0.39) MAPK1KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL4628635 0.86 CYP4F2 (0.40) MAPK1KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL4626502 0.84 MAPK1 (0.41) MAPK1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4627086 0.83 MAPK1 (0.40) MAPK1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4628602 0.83 CYP4F2 (0.42) MAPK1ALDH1A1TSHRCA12CA1
SCHEMBL4628622 0.82 MAPK1 (0.39) MAPK1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL6911128 0.82 TSHR (0.44) MAPK1KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL4625674 0.81 KDM4E (0.38) MAPK1KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL4627971 0.78 MAPK1 (0.40) MAPK1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4627406 0.78 CA1 (0.40) MAPK1ALDH1A1TSHRSMN1; SMN2CA12

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