SCHEMBL3473348

SCHEMBL3473348

CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CCKBR P32239 2/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
CASP3 P42574 1/20 0.39
RAB9A P51151 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
SCHEMBL14866024 0.86 MET (0.48) METCYP1A2CYP11B1CYP11B2CCKBR
SCHEMBL3306023 0.86 MEN1 (0.45) METCYP1A2CYP11B1CYP11B2MEN1
SCHEMBL3306832 0.84 MET (0.47) METCYP1A2CYP11B1CYP11B2MAPT
SCHEMBL3301564 0.82 MET (0.47) METCYP1A2CYP11B1CYP11B2CCKBR
SCHEMBL3470514 0.81 MET (0.46) METCYP1A2CYP11B1CYP11B2CCKBR
SCHEMBL4477991 0.79 ATAD2 (0.45) METCCKBRMAPT
SCHEMBL3308636 0.79 MET (0.45) METCYP1A2CYP11B1CYP11B2MAPT
SCHEMBL3310478 0.78 MAPT (0.54) METCCKBRMAPTALDH1A1
SCHEMBL16435149 0.75 CYP11B1 (0.38) CYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL14866213 0.75 CCKBR (0.48) METCCKBRMAPTSMN1; SMN2

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-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed