SCHEMBL4398308

SCHEMBL4398308

CC(C)c1cc(-c2ncoc2-c2cccc(Cn3ccnc3)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.49
CYP11B2 P19099 7/20 0.49
FNTA P49354 5/20 0.45
FNTB P49356 5/20 0.45
PGGT1B P53609 5/20 0.45
PDE4B Q07343 1/20 0.42
CYP19A1 P11511 4/20 0.40
CYP17A1 P05093 1/20 0.40
AGTR2 P50052 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TBXAS1 P24557 1/20 0.38
QPCT Q16769 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
QPCTL Q9NXS2 1/20 0.38

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
SCHEMBL4373611 0.92 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL13848456 0.89 AGTR2 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL4068393 0.85 CYP19A1 (0.49) CYP19A1MAPT
SCHEMBL4067194 0.84 MEN1 (0.41)
SCHEMBL4068033 0.84 MAPT (0.40) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL4384845 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1AGTR2
SCHEMBL4061183 0.82 NPC1 (0.41)
SCHEMBL4063115 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL13848418 0.80 CYP19A1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1AGTR2
SCHEMBL4063295 0.78 MAPT (0.46) PDE4BCYP1A2MAPT

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed