SCHEMBL9550429

SCHEMBL9550429

CO/C=C(/C(=O)OC)c1cccc2cc(-c3ccc(Br)c(C(F)(F)F)c3)oc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 3/20 0.39
NOTUM Q6P988 3/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
RORB Q92753 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 2/20 0.34
P2RY1 P47900 2/20 0.33
CBR1 P16152 1/20 0.33
AKR1C3 P42330 1/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9550451 0.82 SLC6A3 (0.43) ERAP1MAOBMAOAMEN1KMT2A
SCHEMBL9550507 0.81 ERAP1 (0.47) ERAP1MAOBMAOAKDM4EMEN1
SCHEMBL9550484 0.81 MAOA (0.47) ERAP1MAOBMAOAMEN1LMNA
SCHEMBL9550421 0.80 ERAP1 (0.41) ERAP1MAOBMAOALMNA
SCHEMBL9368976 0.80 NTRK1 (0.49) ERAP1MAOAKDM4EMEN1KMT2A
SCHEMBL9370300 0.79 PTPN1 (0.47) ERAP1MAPT
SCHEMBL9367517 0.79 HDAC3 (0.47) ERAP1MAOBMAOAKDM4EMEN1
SCHEMBL9550466 0.78 MAPT (0.34) ERAP1KDM4ECBR1AKR1C3LMNA
SCHEMBL9368059 0.78 FASN (0.43) ERAP1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9550495 0.77 CYSLTR1 (0.49) ERAP1MAOBMAOAKDM4EMEN1

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US claimed