SCHEMBL7924664

SCHEMBL7924664

CC(O)c1cc2cc(OCc3ccc(O)cc3)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SLC26A4 O43511 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAOB P27338 5/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL1390985 0.90 KMT2A (0.44) NPC1RAB9ASLC26A4KMT2ALMNA
SCHEMBL7925702 0.88 NPC1 (0.43) APPNPC1RAB9ASLC26A4KMT2A
SCHEMBL1391015 0.78 MAOA (0.60) NPC1KMT2AMEN1MAOBMAOA
SCHEMBL7924980 0.78 MAOA (0.42) SLC26A4KMT2ALMNAMEN1BLM
SCHEMBL1391022 0.76 NPC1 (0.45) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL7922363 0.76 TAS1R3 (0.52) APPKMT2AMEN1MAOBPTGES
SCHEMBL7921540 0.76 MAOA (0.41) SLC26A4KMT2ALMNAMEN1BLM
SCHEMBL7921902 0.75 HDAC8 (0.43) KMT2AHDAC6MAOBMAOA
SCHEMBL1390592 0.75 POLB (0.42) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL1390663 0.74 ALOX5 (0.50) NPC1RAB9AKMT2ALMNACYP1A2

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
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed