SCHEMBL9100200

SCHEMBL9100200

CO[C@]1(c2cccc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.54
TRIM24 O15164 3/20 0.34
CYP11B2 P19099 8/20 0.33
CYP11B1 P15538 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP17A1 P05093 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8553346 0.91 ALOX5 (0.46) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280770 0.89 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280765 0.89 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9100476 0.89 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9280772 0.89 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9274972 0.85 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL2107548 0.85 ALOX5 (0.43) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9271466 0.85 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9275295 0.85 ALOX5 (0.45) ALOX5TRIM24CYP11B2CYP11B1CYP1A2
SCHEMBL9230759 0.83 ALOX5 (0.41) ALOX5TRIM24CYP11B2CYP11B1CYP1A2

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
EP-0702680-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029297-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed