SCHEMBL9307970

SCHEMBL9307970

CN1C(=O)CCc2cc(COc3cccc(COCC4CCOCC4)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.42
CYP11B2 P19099 10/20 0.42
GPR84 Q9NQS5 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
SRD5A1 P18405 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9393806 0.79 CYP11B1 (0.42) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL9308663 0.79 ALOX5 (0.48) CYP2D6
SCHEMBL9308523 0.77 ALOX5 (0.62) CYP2D6
SCHEMBL9308680 0.76 ALOX5 (0.52) CYP2D6
SCHEMBL9308712 0.73 ALOX5 (0.43) GPR84CYP2D6
SCHEMBL30293242 0.73 SRD5A1 (0.60) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL9309603 0.73 ALOX5 (0.60) CYP2D6
SCHEMBL8953851 0.72 SLC2A1 (0.43) CYP2D6
SCHEMBL9309282 0.68 ALOX5 (0.48) CYP2D6
SCHEMBL9210905 0.67 ALOX5 (0.70)

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-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed