SCHEMBL4626796

SCHEMBL4626796

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
TSHR P16473 4/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PPARA Q07869 3/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL5964686 0.89 TSHR (0.44) METAP2TSHRCA12CA1CA2
SCHEMBL4626829 0.87 TSHR (0.42) METAP2TSHRCA12CA1CA2
SCHEMBL4627872 0.87 TSHR (0.40) METAP2TSHRCA12CA1CA2
SCHEMBL4627147 0.86 METAP2 (0.42) METAP2TSHRCA12CA1CA2
SCHEMBL4627378 0.86 TSHR (0.41) METAP2TSHRCA12CA1CA2
SCHEMBL4627348 0.86 TSHR (0.41) METAP2TSHRCA12CA1CA2
SCHEMBL4626647 0.86 TSHR (0.41) METAP2TSHRCA12CA1CA2
SCHEMBL4628610 0.86 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL28513936 0.85 METAP2 (0.50) METAP2PPARABIDMCL1BCL2L1
SCHEMBL4626524 0.84 TSHR (0.40) METAP2TSHRCA12CA1CA2

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