SCHEMBL4626524

SCHEMBL4626524

CCCCc1ccc(C(=O)OCC)c(C(=O)O)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.38
NOD2 Q9HC29 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARA Q07869 3/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 2/20 0.37
EP300 Q09472 1/20 0.37

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
SCHEMBL4628308 0.88 TSHR (0.36) TSHRKDM4EHDAC4HDAC6MAPK1
SCHEMBL4627557 0.88 TSHR (0.45) TSHRKDM4EHDAC4HDAC6MAPK1
SCHEMBL5964686 0.84 TSHR (0.44) TSHRKDM4ENOD2PPARAMAPK1
SCHEMBL4626796 0.84 METAP2 (0.46) TSHRKDM4ENOD2PPARAMAPK1
SCHEMBL4626829 0.83 TSHR (0.42) TSHRKDM4ENOD2PPARAMAPK1
SCHEMBL4626801 0.83 TSHR (0.42) TSHRKDM4EPPARAMAPK1BID
SCHEMBL4627183 0.82 ALDH1A1 (0.43) TSHRKDM4EHDAC4HDAC6MAPK1
SCHEMBL4626647 0.82 TSHR (0.41) TSHRKDM4ENOD2PPARAMAPK1
SCHEMBL4627348 0.82 TSHR (0.41) TSHRKDM4ENOD2PPARAMAPK1
SCHEMBL4627378 0.82 TSHR (0.41) TSHRKDM4ENOD2PPARAMAPK1

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