SCHEMBL7930745

SCHEMBL7930745

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 2/20 0.44
GAA P10253 2/20 0.43
KDM4A O75164 1/20 0.43
ATR Q13535 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM2 Q14416 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLS O94925 1/20 0.42
PTGES O14684 1/20 0.41
BRD4 O60885 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
SCHEMBL30965061 1.00 TSHR (0.46) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL30964980 0.90 NR1H4 (0.48) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL1205921 0.90 TSHR (0.47) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL14979282 0.87 NR1H4 (0.50) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL30901987 0.87 NR1H4 (0.50) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL134817 0.86 ALDH1A1 (0.61) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL27434364 0.86 L3MBTL1 (0.44) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL14969490 0.86 TSHR (0.57) TSHRL3MBTL1NAMPTGAAATR
SCHEMBL6629351 0.86 ROCK2 (0.46) TSHRL3MBTL1NAMPTGAAKDM4A
SCHEMBL14965812 0.84 PTGES (0.56) TSHRGAAHPGDLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed