SCHEMBL6438571

SCHEMBL6438571

Cc1cc(CC(=O)C(=O)O)ccc1OCc1csc(-c2ccc(C(C)C)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
PTGER1 P34995 1/20 0.41
ALOX5 P09917 2/20 0.41
PSEN1 P49768 1/20 0.41
SCN9A Q15858 6/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.40
KLK1 P06870 3/20 0.39

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
SCHEMBL6438574 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDGAAPTGER1
SCHEMBL3368548 0.83 PPARG (0.46) KDM4EALDH1A1HPGDGAAALOX5
SCHEMBL3372499 0.81 PPARG (0.39) KDM4EALDH1A1HPGDGAAALOX5
SCHEMBL3370374 0.73 PPARA (0.43) KDM4EALDH1A1HPGDGAAALOX5
SCHEMBL3372557 0.73 LMNA (0.68) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL3373634 0.72 FFAR1 (0.39) KDM4EALDH1A1HPGDGAAALOX5
SCHEMBL27611558 0.72 RAB9A (0.49) KDM4EALDH1A1HPGDGAAALOX5
SCHEMBL3369936 0.71 PPARG (0.46) ALOX5PSEN1TP53PPARGPPARA
SCHEMBL3369091 0.70 ALOX5 (0.51) ALOX5PSEN1PPARGPPARA
SCHEMBL3373937 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAANPC1

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-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed