SCHEMBL6504455

SCHEMBL6504455

COC(=O)c1nc(-c2ccc(C)cc2)oc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 6/20 0.74
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 4/20 0.70
HSD17B10 Q99714 4/20 0.70
HPGD P15428 3/20 0.70
PKM P14618 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
PDCD4 Q53EL6 1/20 0.60
IKBKB O14920 2/20 0.55
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL16399092 0.88 TARBP2 (0.75) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6506172 0.88 TARBP2 (0.58) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2826477 0.88 TARBP2 (0.58) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2778345 0.88 TARBP2 (0.70) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4918154 0.85 TARBP2 (1.00) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2822458 0.84 TARBP2 (0.54) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27492410 0.82 IKBKB (0.73) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL16005327 0.81 TARBP2 (0.55) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28297243 0.81 TARBP2 (0.81) TARBP2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11620370 0.81 TARBP2 (0.61) TARBP2ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed