SCHEMBL6989718

SCHEMBL6989718

CCOC(=O)C(C)CCOc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
LTA4H P09960 4/20 0.47
NR5A1 Q13285 1/20 0.47
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL28013543 0.85 ESR1 (0.46) MEN1KMT2ASMN1; SMN2TP53TDP1
SCHEMBL3830792 0.84 LTA4H (0.49) MEN1KMT2ASMN1; SMN2TP53TDP1
SCHEMBL27652847 0.79 LTA4H (0.49) MEN1KMT2ASMN1; SMN2TDP1LTA4H
SCHEMBL14097352 0.79 MEN1 (0.71) MEN1KMT2ATDP1LTA4HNR5A1
SCHEMBL10867956 0.78 KMT2A (0.47) MEN1KMT2ASMN1; SMN2TP53TDP1
1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 0.76 TDP1 (0.66) SMN1; SMN2TP53TDP1LTA4HNR5A1
SCHEMBL11231682 0.76 LTA4H (0.55) TDP1LTA4HNR5A1MAPK1LMNA
SCHEMBL7692040 0.76 LTA4H (0.52) KMT2ALTA4HNR5A1L3MBTL1CA12
SCHEMBL3466988 0.74 CYSLTR2 (0.59) SMN1; SMN2LTA4HNR5A1MAPT
SCHEMBL3621455 0.74 ESR1 (0.56) MEN1KMT2ATDP1MAPTCA12

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
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed