SCHEMBL4628677

SCHEMBL4628677

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ESR1 P03372 4/20 0.43
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4627322 0.89 CYP4F2 (0.40) KMT2AMEN1TSHRALDH1A1MAPK1
SCHEMBL4628616 0.89 KMT2A (0.42) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4627376 0.88 KMT2A (0.43) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4626611 0.87 TSHR (0.43) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4627578 0.86 ATM (0.45) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4628278 0.86 TSHR (0.42) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4627895 0.84 MEN1 (0.43) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4625752 0.84 TSHR (0.42) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4627338 0.83 TSHR (0.47) KMT2AMEN1ESR1TSHRTDP1
SCHEMBL4625820 0.83 ESR1 (0.42) KMT2AMEN1ESR1TSHRTDP1

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