SCHEMBL9837487

SCHEMBL9837487

O=C(O)COc1ccc2c(=O)c3ccccc3oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
AKR1C3 P42330 1/20 0.71
AKR1C2 P52895 1/20 0.71
AKR1C1 Q04828 1/20 0.71
GAA P10253 2/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 4/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ACSL1 P33121 2/20 0.62
ACSL6 Q9UKU0 2/20 0.62
NPC1 O15118 1/20 0.61
MAOA P21397 1/20 0.61
RAB9A P51151 1/20 0.61
KDM4E B2RXH2 3/20 0.58
XDH P47989 4/20 0.57
TTR P02766 1/20 0.57
AGER Q15109 1/20 0.56
MAPT P10636 1/20 0.56
BCHE P06276 3/20 0.56

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
SCHEMBL1247012 0.92 LMNA (0.82) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL11883939 0.90 LMNA (0.66) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL20322862 0.84 LMNA (1.00) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL13479654 0.83 AKR1C3 (1.00) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL9835886 0.83 AKR1C3 (0.57) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL31193434 0.82 TTR (0.62) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL9836869 0.82 LMNA (0.59) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL6519242 0.81 MAOA (0.70) KMT2AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9834762 0.81 LMNA (0.57) LMNAAKR1C3AKR1C2AKR1C1GAA
SCHEMBL30748196 0.81 XDH (0.67) ACSL1ACSL6NPC1MAOARAB9A

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-0175376-B1 XANTHONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1991-04-03 EP disclosed