SCHEMBL8311394

SCHEMBL8311394

COc1cc2c(cc1OC)C(c1cccc[n+]1[O-])=CC(C)(C)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL8314966 0.85 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8310360 0.83 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8312666 0.83 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8316384 0.81 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8310464 0.81 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL8314327 0.81 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8HTR2B
SCHEMBL8314233 0.81 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8312010 0.81 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8312815 0.80 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8310409 0.80 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA

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-0626954-B1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1999-03-17 EP claimed
WO-1994013658-A2 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1994-06-23 WO claimed
EP-0626954-B1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1999-03-17 EP disclosed
US-5652252-A POTASSIUM CHANNEL ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-07-29 US disclosed
US-5602152-A POTASSIUM CHANNEL MODULATOR MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 US disclosed
EP-0626954-A1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GmbH (DE) 1994-12-07 EP disclosed
WO-1994013658-A2 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1994-06-23 WO disclosed