SCHEMBL4628659

SCHEMBL4628659

CCc1cc(C(=O)OCC(C)C)c(C(=O)OCC(C)C)cc1CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4627285 0.95 ALDH1A1 (0.56) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4625722 0.90 ALDH1A1 (0.54) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4625914 0.89 TSHR (0.53) TSHRALDH1A1KDM4ETDP1TP53
SCHEMBL4625846 0.88 ALDH1A1 (0.53) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4626954 0.88 ALDH1A1 (0.53) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL827863 0.88 TSHR (0.70) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4625701 0.87 ALDH1A1 (0.51) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4641058 0.87 ALDH1A1 (0.51) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4627612 0.85 ALDH1A1 (0.50) TSHRALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4628309 0.84 TSHR (0.49) TSHRALDH1A1KDM4EMAPTTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
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
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 EP disclosed