SCHEMBL28596131

SCHEMBL28596131

COc1cccc(-c2cc3ccc(O)cc3oc2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 1.00
NPC1 O15118 4/20 0.74
ERAP1 Q9NZ08 2/20 0.74
RAB9A P51151 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
RXFP1 Q9HBX9 1/20 0.74
SIRT3 Q9NTG7 1/20 0.74
TDP1 Q9NUW8 2/20 0.67
ATM Q13315 1/20 0.67
TLR9 Q9NR96 1/20 0.67
MAOB P27338 2/20 0.64
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
ESR2 Q92731 1/20 0.62
GPR35 Q9HC97 1/20 0.61
GAPDH P04406 1/20 0.61
PTGS1 P23219 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL30108442 1.00 MIF (1.00) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL28843685 0.88 MIF (0.80) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL949458 0.85 MIF (1.00) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL29402681 0.85 MIF (1.00) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL980362 0.85 MIF (0.80) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL29427499 0.85 MIF (0.72) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL5940809 0.85 MIF (0.72) MIFNPC1ERAP1RAB9AMEN1
SCHEMBL22132859 0.84 MAOB (0.74) MIFNPC1RAB9AMAOBGPR35
SCHEMBL22132870 0.81 MAOB (0.82) MIFNPC1RAB9AMAOBGAPDH
SCHEMBL591688 0.81 MIF (1.00) MIFNPC1ERAP1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121485-B 3-aryl coumarin derivative and preparation method and application thereof 中山大学 2023-01-03 CN disclosed
CN-113121485-A 3-aryl coumarin derivative and preparation method and application thereof 中山大学 2021-07-16 CN disclosed