SCHEMBL8557481

SCHEMBL8557481

COc1cc(C(=O)O)c(C(=O)c2ccccc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 5/20 0.61
HPGD P15428 5/20 0.61
HSD17B10 Q99714 4/20 0.61
CYP3A4 P08684 1/20 0.61
RECQL P46063 1/20 0.61
MAPK1 P28482 3/20 0.58
ALOX15 P16050 1/20 0.58
AKR1C3 P42330 2/20 0.55
ALDH1A1 P00352 5/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.54
GFER P55789 2/20 0.54
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53

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
SCHEMBL7438219 0.94 MAPT (0.67) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL12082118 0.90 MAPT (0.77) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL4543074 0.87 MAPT (0.63) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL1656198 0.87 ATM (0.60) HPGDSMN1; SMN2
SCHEMBL10694952 0.86 LMNA (0.51) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL27939608 0.85 MAPT (0.76) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL7289360 0.85 LCK (0.49) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL9339940 0.84 MAPT (0.84) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL4707952 0.84 MAPT (0.59) KDM4EMAPTLMNAHPGDHSD17B10
SCHEMBL10959090 0.83 MAPT (0.58) KDM4EMAPTLMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475527-B1 Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents SANOFI SA (FR) 1998-02-25 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
EP-0475527-A2 Aryl-fused and hetaryl-fused-2, 4-diazepine and 2, 4-diazocine antiarrhythmic agents STERLING DRUG INC. (US) 1992-03-18 EP disclosed
US-4505921-A Sulfonylurea compounds and their use in treating diabetes ADIR, S.A.R.L. (FR) 1985-03-19 US disclosed