SCHEMBL4628654

SCHEMBL4628654

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 3/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 3/20 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
SCHEMBL4625855 0.87 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1TP53
SCHEMBL4628581 0.85 TSHR (0.49) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4627546 0.85 TSHR (0.49) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4628575 0.85 TSHR (0.49) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4627203 0.82 TSHR (0.47) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4626424 0.82 TSHR (0.49) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4628238 0.81 TSHR (0.45) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4627408 0.78 TSHR (0.42) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4628231 0.78 TSHR (0.47) TSHRL3MBTL1TDP1ESR1ALDH1A1
SCHEMBL4627123 0.78 TSHR (0.47) TSHRL3MBTL1TDP1ESR1ALDH1A1

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