SCHEMBL6417549

SCHEMBL6417549

COC(=O)c1cc2[nH]cc(C(C)=O)c2cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.56
CREBBP Q92793 1/20 0.53
PBRM1 Q86U86 1/20 0.49
HASPIN Q8TF76 1/20 0.48
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAP2K1 Q02750 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 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
SCHEMBL6417553 0.94 NR4A2 (0.51) NR4A2CREBBPPBRM1HASPIN
SCHEMBL27607023 0.94 NR4A2 (0.51) NR4A2CREBBPPBRM1HASPIN
SCHEMBL10076716 0.89 NR4A2 (0.56) NR4A2CREBBPPBRM1HASPINMAPT
SCHEMBL9106007 0.88 NR4A2 (0.57) NR4A2CREBBPPBRM1HASPIN
SCHEMBL30697204 0.80 NPC1 (0.64) NR4A2CREBBPPBRM1HSD17B10MEN1
SCHEMBL3931730 0.80 NR4A2 (0.60) NR4A2CREBBPPBRM1HSD17B10KDM4E
SCHEMBL2493105 0.80 NPC1 (0.64) NR4A2CREBBPPBRM1HSD17B10MEN1
SCHEMBL22864676 0.77 NR4A2 (0.60) NR4A2CREBBPMAP2K1
SCHEMBL10397437 0.76 NR4A2 (0.68) NR4A2CREBBPPBRM1MAPTHSD17B10
SCHEMBL10397736 0.76 NR4A2 (0.68) NR4A2CREBBPPBRM1MAPTMAP2K1

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
US-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed