SCHEMBL4628613

SCHEMBL4628613

CCCCOC(=O)c1cc(Cl)c(C)cc1C(=O)OCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 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
SCHEMBL4628085 1.00 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628595 0.95 ESR1 (0.39) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628682 0.93 CYP4F2 (0.41) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628042 0.93 CYP4F2 (0.41) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4627196 0.92 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4627559 0.90 TSHR (0.53) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625804 0.90 ESR1 (0.56) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4628676 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL6909452 0.90 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1NPC1
SCHEMBL4627128 0.89 ALDH1A1 (0.40) ESR1TSHRCYP3A4MAPK1TP53

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