SCHEMBL4628478

SCHEMBL4628478

CCCCOC(=O)c1cc(Br)c(Cl)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4628281 0.91 ALOX15 (0.37) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL4628087 0.89 TSHR (0.40) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL6908952 0.89 ATM (0.43) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4625671 0.88 ESR1 (0.41) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4628535 0.88 TSHR (0.39) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4625820 0.88 ESR1 (0.42) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4628544 0.85 ATM (0.41) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4628616 0.85 KMT2A (0.42) ESR1ATMTSHRTDP1L3MBTL1
SCHEMBL4626580 0.84 MAOB (0.39) ESR1ATMTSHRALDH1A1MAPK1
SCHEMBL4628601 0.84 ATM (0.40) ESR1ATMTSHRTDP1L3MBTL1

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