SCHEMBL4627170

SCHEMBL4627170

CCOC(=O)c1ccc(CC(C)C)c(Br)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39

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
SCHEMBL4628808 0.87 TSHR (0.47) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4627364 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4627581 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4626751 0.85 TSHR (0.38) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4628067 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4625801 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4628292 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4626391 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4627183 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBTSHR
SCHEMBL4625535 0.81 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRLMNACYP1A2

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