SCHEMBL9461663

SCHEMBL9461663

CCOC(=O)COc1ccc(CC2=NNC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PDE3B Q13370 1/20 0.41

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
SCHEMBL7327646 0.81 MAPT (0.65) GAANPSR1MAPTLMNAPOLB
SCHEMBL7329341 0.76 FAAH (0.41) MAPTSMN1; SMN2PTPN1KDM4EALDH1A1
SCHEMBL10801993 0.73 PTPN1 (0.48) GAANPSR1MAPTPOLBPTPN1
SCHEMBL10803307 0.73 PTPN1 (0.48) GAANPSR1MAPTPOLBPTPN1
SCHEMBL8433770 0.73 GAA (0.52) GAANPSR1MAPTPOLBKDM4E
SCHEMBL7228178 0.72 GAA (0.62) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL5202817 0.72 GAA (0.66) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL10852582 0.72 GAA (0.51) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL11460802 0.72 NPSR1 (0.57) GAANPSR1MAPTLMNAPOLB
SCHEMBL13557326 0.71 GAA (0.60) GAANPSR1MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed