SCHEMBL4626611

SCHEMBL4626611

CCCCOC(=O)c1cc(CC)c(C)c(CC(C)C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
ESR1 P03372 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4627998 0.89 ALDH1A1 (0.42) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL4627808 0.88 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4626967 0.87 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627578 0.87 ATM (0.45) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4625752 0.87 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4628677 0.87 KMT2A (0.43) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4625770 0.86 TSHR (0.43) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627851 0.83 TSHR (0.43) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4628173 0.83 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627189 0.82 ATM (0.42) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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