SCHEMBL9550451

SCHEMBL9550451

CO/C=C(/C(=O)OC)c1cccc2cc(-c3ccc4ccccc4c3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 1/20 0.43
ERAP1 Q9NZ08 2/20 0.41
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CYP1A2 P05177 3/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
PTGES O14684 3/20 0.36
ALOX5 P09917 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL9550507 0.90 ERAP1 (0.47) ERAP1NTRK1NTRK2MAOAMAOB
SCHEMBL9550484 0.90 MAOA (0.47) ERAP1CYP1A2MAOAMAOBMEN1
SCHEMBL9368976 0.89 NTRK1 (0.49) ERAP1CYP1A1CYP1B1CYP1A2NTRK1
SCHEMBL9550421 0.89 ERAP1 (0.41) ERAP1CYP1A1CYP1B1CYP1A2MAOA
SCHEMBL9550495 0.88 CYSLTR1 (0.49) ERAP1CYP1A1CYP1B1CYP1A2NTRK1
SCHEMBL9367517 0.88 HDAC3 (0.47) ERAP1CYP1A1CYP1B1CYP1A2NTRK1
SCHEMBL9550413 0.87 CYSLTR1 (0.41) ERAP1CYP1A1CYP1B1CYP1A2HDAC3
SCHEMBL9370300 0.86 PTPN1 (0.47) ERAP1CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL9368059 0.84 FASN (0.43) ERAP1MEN1ALDH1A1HPGDKMT2A
SCHEMBL9550477 0.83 ADORA3 (0.43) ERAP1MAOAMAOBMEN1ALDH1A1

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