SCHEMBL6987217

SCHEMBL6987217

CCOC(=O)C(C)Oc1ccc(C2CCCCC2)cc1.Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ESR2 Q92731 5/20 0.49
▸ ALDH2 P05091 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ DEGS1 O15121 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5206358 0.95 LMNA (0.51) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL5789381 0.84 LMNA (0.66) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL2481397 0.84 LMNA (0.66) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL9621303 0.84 LMNA (0.66) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL11607067 0.82 LMNA (0.49) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL10363482 0.80 CYP2C9 (0.53) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL10363481 0.80 CYP2C9 (0.53) LMNAL3MBTL1ESR2ALDH2KMT2A
P-Cresol SCHEMBL6986663 0.80 LMNA (0.61) LMNAL3MBTL1ESR2ALDH2KMT2A
SCHEMBL11363959 0.80 SMN1; SMN2 (0.45) LMNAL3MBTL1ESR2KMT2AALDH1A1
SCHEMBL11517754 0.78 SMN1; SMN2 (0.62) L3MBTL1KMT2AALDH1A1SMN1; SMN2MAPT

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-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 — — EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 — — WO disclosed
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