SCHEMBL4627280

SCHEMBL4627280

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 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
SCHEMBL4627578 0.89 ATM (0.45) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL6912282 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1POLBKDM4E
SCHEMBL4626565 0.87 MAOB (0.39) ALDH1A1SMN1; SMN2MAPK1POLBKDM4E
SCHEMBL4626737 0.86 KDM4E (0.36) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL4627998 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1
SCHEMBL4625961 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1POLBKDM4E
SCHEMBL4627322 0.84 CYP4F2 (0.40) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1
SCHEMBL4626448 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1
SCHEMBL4627143 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBKDM4E
SCHEMBL4625674 0.82 KDM4E (0.38) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1

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