SCHEMBL4628610

SCHEMBL4628610

CCCCc1c(CC)ccc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
APLNR P35414 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARA Q07869 2/20 0.38
LMNA P02545 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38

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 0.94 TSHR (0.44) TSHRCA12CA1CA2CA7
SCHEMBL4626829 0.93 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL6912125 0.87 TSHR (0.45) TSHRCA12CA1CA2CA7
SCHEMBL9070188 0.87 GABRP (0.43) ALDH1A1HSD17B10PPARABIDMCL1
SCHEMBL11310948 0.87 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL4628649 0.87 TSHR (0.40) TSHRCA12CA1CA2CA7
SCHEMBL409573 0.86 GABRP (0.45) ALDH1A1HSD17B10PPARABIDMCL1
SCHEMBL18489486 0.86 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL4626796 0.86 METAP2 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL11688995 0.85 TSHR (0.46) TSHRCA12CA1CA2CA7

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