SCHEMBL4657478

SCHEMBL4657478

CCOC(=O)C1=C(c2ccccc2)c2ccc(CN3CCOCC3)cc2C1(O)c1ccccc1.CCOC(=O)C1=C(c2ccccc2)c2ccc(CN3CCOCC3)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.47
ALDH1A1 P00352 5/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
LMNA P02545 5/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 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
SCHEMBL3578413 0.92 ALDH1A1 (0.48) PPARGALDH1A1PDCD1CD274LMNA
SCHEMBL4657479 0.88 PPARG (0.39) PPARGALDH1A1PDCD1CD274LMNA
SCHEMBL3565974 0.88 PPARG (0.59) PPARGALDH1A1PDCD1CD274LMNA
SCHEMBL4658819 0.84 PPARG (0.54) PPARGALDH1A1PDCD1CD274LMNA
SCHEMBL3570960 0.78 PPARG (0.62) PPARGALDH1A1TSHRRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3574111 0.77 PPARG (0.61) PPARGALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL13316128 0.76 PPARG (0.74) PPARG
SCHEMBL4658548 0.76 PPARG (0.76) PPARG
SCHEMBL4656720 0.75 PPARG (0.69) PPARGALDH1A1LMNAMAPTNPSR1
SCHEMBL3572873 0.73 PPARG (0.79) PPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756036-A4 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-04-16 EP disclosed
EP-1756036-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-02-28 EP disclosed
WO-2005100297-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed