SCHEMBL4626447

SCHEMBL4626447

CCOC(=O)c1cc(CC)c(Br)cc1C(=O)OCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GPR35 Q9HC97 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4625846 0.95 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ENPSR1RXFP1
SCHEMBL4628580 0.91 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ENPSR1RXFP1
SCHEMBL4627285 0.89 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ENPSR1GPR35
SCHEMBL4626925 0.89 TSHR (0.50) ALDH1A1TSHRKDM4ENPSR1RXFP1
SCHEMBL6911156 0.87 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ENPSR1RXFP1
SCHEMBL4625958 0.87 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ENPSR1RXFP1
SCHEMBL4627130 0.86 ESR1 (0.48) ALDH1A1TSHRMAPK1LMNAL3MBTL1
SCHEMBL4641058 0.85 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ENPSR1GPR35
SCHEMBL4625701 0.85 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ENPSR1GPR35
SCHEMBL4628659 0.84 TSHR (0.61) ALDH1A1TSHRKDM4ENPSR1GPR35

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