SCHEMBL31006405

SCHEMBL31006405

CC(=O)c1ccc2c(c1)C1C=CCC1[C@H](c1cc3c(cc1Br)OCO3)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPER1 Q99527 3/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
GPR183 P32249 1/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
MAPT P10636 8/20 0.72
TDP1 Q9NUW8 2/20 0.72
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
POLB P06746 3/20 0.69
LMNA P02545 3/20 0.69
HTT P42858 1/20 0.69
ALDH1A1 P00352 3/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
RECQL P46063 1/20 0.61

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
SCHEMBL30657722 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12524898 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL29518305 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL30569761 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700921 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700948 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700947 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700983 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700922 1.00 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL21106239 0.94 GPER1 (0.89) GPER1L3MBTL1GPR183NPC1RAB9A

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-118393019-A Identification and analysis method of children OAB urine metabolic marker 重庆医科大学附属儿童医院 2024-07-26 CN disclosed