SCHEMBL6763567

SCHEMBL6763567

CCOC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
P2RY12 Q9H244 2/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
POLB P06746 1/20 0.44
CYP4Z1 Q86W10 1/20 0.43
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL6767362 0.85 PDE3B (0.65) SMN1; SMN2GAAPKMPDE3BPDE3A
SCHEMBL6768474 0.84 GAA (0.51) SMN1; SMN2GAAPKMPDE3BPDE3A
SCHEMBL6763587 0.80 GAA (0.53) SMN1; SMN2GAAPKMMAPTALDH1A1
SCHEMBL6772737 0.79 GAA (0.56) SMN1; SMN2GAAPKMMAPTALDH1A1
SCHEMBL27987840 0.78 CA12 (0.50) SMN1; SMN2PKMPDE3BPDE3AP2RY12
SCHEMBL6773336 0.78 TSHR (0.58) SMN1; SMN2GAAPKMPDE3BPDE3A
SCHEMBL6768025 0.78 PARP1 (0.58) SMN1; SMN2GAAPKMPDE3BPDE3A
SCHEMBL14816222 0.78 PDE3B (0.64) GAAPDE3BPDE3AP2RY12MAPT
SCHEMBL16729160 0.78 ALOX15 (0.52) SMN1; SMN2PKMMAPTALDH1A1MEN1
SCHEMBL5654906 0.77 NOS1 (0.51) SMN1; SMN2PKMPDE3BPDE3AMEN1

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed