SCHEMBL4625784

SCHEMBL4625784

CCOC(=O)c1ccc(Cl)cc1C(=O)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.47
GPR35 Q9HC97 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 4/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL235864 0.94 ALDH1A1 (0.64) TSHRALDH1A1MAPK1GPR35KDM4E
SCHEMBL235046 0.89 TSHR (0.60) TSHRALDH1A1MAPK1CA12CA1
SCHEMBL4641383 0.86 TSHR (0.54) TSHRALDH1A1MAPK1CA2KDM4E
SCHEMBL4628668 0.85 ALDH1A1 (0.60) TSHRALDH1A1MAPK1GPR35CA12
SCHEMBL4625774 0.84 ALDH1A1 (0.54) TSHRALDH1A1MAPK1GPR35CA12
SCHEMBL4626390 0.84 ALDH1A1 (0.58) TSHRALDH1A1MAPK1GPR35CA12
SCHEMBL4626880 0.83 ALOX15 (0.49) TSHRALDH1A1MAPK1GPR35CA12
SCHEMBL21866043 0.83 ALDH1A1 (0.57) TSHRALDH1A1MAPK1KDM4EMAPT
SCHEMBL4628194 0.82 TSHR (0.57) TSHRALDH1A1MAPK1CA12CA1
SCHEMBL4627382 0.82 ALDH1A1 (0.57) TSHRALDH1A1MAPK1GPR35CA12

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