SCHEMBL4626441

SCHEMBL4626441

CCCCc1c(C)c(CC)cc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
APLNR P35414 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
PTGES O14684 1/20 0.36
TOP2A P11388 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL4627448 0.87 ALDH1A1 (0.36) ALDH1A1TSHRPDE3BPDE3AGAA
SCHEMBL4626577 0.83 TSHR (0.39) ALDH1A1TSHRKDM4ENOD2GAA
SCHEMBL4627808 0.83 TSHR (0.41) ALDH1A1TSHRMAPK1LMNAL3MBTL1
SCHEMBL4627998 0.82 ALDH1A1 (0.42) ALDH1A1TSHRPDE3BPDE3AGAA
SCHEMBL4628185 0.82 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EPDE3BPDE3A
SCHEMBL4628610 0.82 TSHR (0.44) ALDH1A1TSHRMAPK1CA12CA1
SCHEMBL28816668 0.81 KDM4E (0.45) ALDH1A1TSHRKDM4ENOD2PTGES
SCHEMBL4626900 0.81 GABRP (0.47) PTGESTOP2APTPN1GABRPGABRD
SCHEMBL4626829 0.81 TSHR (0.42) ALDH1A1TSHRKDM4ENOD2MAPK1
SCHEMBL4627851 0.80 TSHR (0.43) ALDH1A1TSHRMAPK1LMNAL3MBTL1

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