SCHEMBL8734451

SCHEMBL8734451

COc1ccc2[c]c(-c3cccc(OC(C)=O)c3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.53
ALDH1A1 P00352 4/20 0.43
GLA P06280 2/20 0.43
F2 P00734 1/20 0.43
HPGD P15428 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
BACE1 P56817 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
SCHEMBL8732840 1.00 GAPDH (0.53) GAPDHALDH1A1GLAF2HPGD
SCHEMBL8735796 0.95 GAPDH (0.49) GAPDHALDH1A1GLANPC1RAB9A
SCHEMBL7937480 0.88 CYP1A2 (0.46) PLGPLAUPLATSMN1; SMN2NPC1
SCHEMBL5045934 0.83 CA12 (0.49) GAPDHALDH1A1GLAF2HPGD
SCHEMBL9054823 0.79 CYP1A2 (0.52) ALDH1A1HPGDPLAUSMN1; SMN2NPC1
SCHEMBL26009136 0.78 LMNA (0.59) GAPDHALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27822793 0.78 DYRK1A (0.39) SMN1; SMN2NPC1RAB9ATP53CYP3A4
SCHEMBL27822808 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL27802178 0.77 CYP1A2 (0.46) PLAUSMN1; SMN2NPC1RAB9ATP53
SCHEMBL253760 0.77 GLA (0.65) GAPDHALDH1A1GLAF2HPGD

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
EP-0826680-A1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed