SCHEMBL9098375

SCHEMBL9098375

COC1(c2ccc(F)c(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.68
CYP11B2 P19099 2/20 0.38
TRIM24 O15164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL9232172 0.93 ALOX5 (0.68) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9099705 0.84 ALOX5 (0.71) ALOX5CYP11B2
SCHEMBL9088351 0.83 ALOX5 (0.72) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL8554746 0.78 ALOX5 (0.73) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9088453 0.78 ALOX5 (0.65) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9126763 0.76 ALOX5 (0.70) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9282610 0.73 ALOX5 (0.55) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9099749 0.73 ALOX5 (0.55) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9282601 0.73 ALOX5 (0.55) ALOX5CYP11B2TRIM24CYP1A2CYP11B1
SCHEMBL9282605 0.73 ALOX5 (0.55) ALOX5CYP11B2TRIM24CYP1A2CYP11B1

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