SCHEMBL9550413

SCHEMBL9550413

CO/C=C(/C(=O)OC)c1cccc2cc(-c3cccc(Oc4ccccc4)c3)oc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
DHODH Q02127 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EIF4A1 P60842 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX3 P56373 1/20 0.35
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9550495 0.93 CYSLTR1 (0.49) CYSLTR1CYP1A1CYP1A2CYP1B1DHODH
SCHEMBL9367517 0.91 HDAC3 (0.47) CYP1A1CYP1A2CYP1B1ERAP1MAOA
SCHEMBL9550484 0.90 MAOA (0.47) CYSLTR1CYP1A2ERAP1MAOAMAOB
SCHEMBL9550421 0.89 ERAP1 (0.41) CYP1A1CYP1A2CYP1B1DHODHERAP1
SCHEMBL9550507 0.88 ERAP1 (0.47) CYSLTR1ERAP1MAOAMAOBNPC1
SCHEMBL9550451 0.87 SLC6A3 (0.43) CYP1A1CYP1A2CYP1B1ERAP1MAOA
SCHEMBL9370300 0.84 PTPN1 (0.47) CYP1A1CYP1A2CYP1B1ERAP1NPC1
SCHEMBL9368976 0.83 NTRK1 (0.49) CYP1A1CYP1A2CYP1B1ERAP1MAOA
SCHEMBL28717912 0.80 GAA (0.44) DHODHHDAC8POLB
SCHEMBL9550481 0.79 ALDH1A1 (0.40) MAOAMAOBHDAC8NPC1RAB9A

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 disclosed