SCHEMBL30148867

SCHEMBL30148867

c1ccc2c(CCOC3CCCCO3)coc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PSMB8 P28062 2/20 0.40
PSMB5 P28074 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39
MAOB P27338 2/20 0.38
P2RX3 P56373 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 1/20 0.35
CA2 P00918 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL30148871 0.87 KDM4C (0.43) KDM4CL3MBTL1PSMB8PSMB5MEN1
SCHEMBL27516798 0.79 KDM4C (0.60) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL2649803 0.77 KDM4C (0.52) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL2664069 0.77 KDM4C (0.52) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL7651001 0.76 KDM4C (0.51) KDM4CMEN1KMT2ASLC6A4
SCHEMBL10679113 0.76 KDM4C (0.53) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL772902 0.76 KDM4C (0.53) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL7690214 0.76 KDM4C (0.53) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL28922774 0.75 KDM4C (0.50) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6879618 0.75 KDM4C (0.58) KDM4CL3MBTL1NPC1RAB9AMEN1

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
CN-115521325-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-12-27 CN disclosed