SCHEMBL4628554

SCHEMBL4628554

CCCCOC(=O)c1ccc(CC(C)(C)C)c(CC)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
ESR1 P03372 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4628506 0.93 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL10863467 0.90 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627221 0.88 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627299 0.87 TSHR (0.42) TSHRALDH1A1CYP3A4HSD17B10LMNA
SCHEMBL4628619 0.86 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627307 0.86 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4627203 0.86 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4628666 0.86 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4626909 0.85 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL383322 0.84 ALDH1A1 (0.57) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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