SCHEMBL4625822

SCHEMBL4625822

CCCCOC(=O)c1cc(Cl)c(Cl)cc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.58
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL234193 0.95 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL4626578 0.90 ESR1 (0.51) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL4625804 0.89 ESR1 (0.56) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL13950021 0.88 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL236240 0.88 CYP4F2 (0.57) TSHRL3MBTL1KMT2AMEN1MAPK1
SCHEMBL4627305 0.86 TSHR (0.61) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625673 0.85 ESR1 (0.56) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL6905627 0.85 TSHR (0.59) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL4628270 0.84 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1KMT2A
SCHEMBL4627196 0.84 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1KMT2A

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