SCHEMBL4628668

SCHEMBL4628668

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TSHR P16473 4/20 0.60
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.43
NPY1R P25929 1/20 0.43

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
SCHEMBL301540 0.95 ALDH1A1 (0.66) ALDH1A1TSHRCA12CA1CA2
SCHEMBL301748 0.88 TSHR (0.64) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4626667 0.87 TSHR (0.55) ALDH1A1TSHRCA2KDM4ESMN1; SMN2
SCHEMBL4626390 0.86 ALDH1A1 (0.58) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4625784 0.85 TSHR (0.57) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4628194 0.85 TSHR (0.57) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4627141 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4627382 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCA12CA1CA2
SCHEMBL30320099 0.84 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ERAB9AMAPT
SCHEMBL4627645 0.83 ALDH1A1 (0.58) ALDH1A1TSHRCA12CA1CA2

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