SCHEMBL4625866

SCHEMBL4625866

CCCCOC(=O)c1ccc(Cl)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
KMT2A Q03164 1/20 0.51
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ESR1 P03372 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL232477 0.90 TSHR (0.65) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL233851 0.89 ABL1 (0.42) TSHRKMT2AMAPK1TP53ALDH1A1
SCHEMBL4628324 0.87 TSHR (0.54) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL4628279 0.86 TSHR (0.49) TSHRKMT2AMAPK1CYP3A4KDM4E
SCHEMBL4627133 0.86 ESR1 (0.52) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL4626740 0.86 TSHR (0.59) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL4626906 0.85 TSHR (0.55) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL4628503 0.85 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628079 0.85 TSHR (0.67) TSHRTDP1L3MBTL1KMT2AMAPK1
SCHEMBL21113682 0.85 TSHR (0.67) TSHRTDP1L3MBTL1KMT2AMAPK1

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