SCHEMBL4628003

SCHEMBL4628003

CCOC(=O)c1ccc(Cl)c(C(C)(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TSHR P16473 2/20 0.44
KMT2A Q03164 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
MAPK1 P28482 2/20 0.40
METTL3 Q86U44 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM6 O15303 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
SCHEMBL4628331 0.87 TSHR (0.49) TSHRKMT2AMAPK1ALDH1A1HSD17B10
SCHEMBL4627938 0.85 TSHR (0.46) TSHRKMT2ACA1CA2CA12
SCHEMBL4627557 0.84 TSHR (0.45) TSHRKMT2ACA1CA2CA12
SCHEMBL6911128 0.83 TSHR (0.44) CYP4F2CYP4A11TSHRKMT2ACA1
SCHEMBL4626519 0.83 TSHR (0.44) TSHRKMT2ACA1CA2CA12
SCHEMBL4627485 0.83 TSHR (0.44) TSHRKMT2ACA1CA2CA12
SCHEMBL4628602 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRKMT2ACA1
SCHEMBL4628277 0.81 CYP4F2 (0.44) CYP4F2CYP4A11TSHRKMT2ACA1
SCHEMBL4626987 0.80 TSHR (0.44) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL4628190 0.80 CYP4F2 (0.40) CYP4F2CYP4A11TSHRKMT2ACA1

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