SCHEMBL7203253

SCHEMBL7203253

COc1ccc2ccccc2c1.c1ccc2c(Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
CYP2A6 P11509 1/20 0.66
MAPT P10636 1/20 0.50
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
RCE1 Q9Y256 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 1/20 0.45

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
SCHEMBL443820 0.85 GAA (0.61) CYP1A2CYP2A6MAPTMEN1KMT2A
SCHEMBL30731587 0.85 GAA (0.61) CYP1A2CYP2A6MAPTMEN1KMT2A
SCHEMBL28920314 0.84 ALDH1A1 (0.53) CYP1A2CYP2A6MAPTRAB9AMEN1
SCHEMBL6013084 0.84 L3MBTL1 (0.55) CYP1A2CYP2A6MAPTRAB9AMEN1
SCHEMBL29353188 0.81 CYP1A2 (1.00) CYP1A2CYP2A6RAB9AMEN1KMT2A
SCHEMBL112792 0.81 CYP1A2 (1.00) CYP1A2CYP2A6RAB9AMEN1KMT2A
SCHEMBL5311432 0.81 CYP1A2 (1.00) CYP1A2CYP2A6RAB9AMEN1KMT2A
SCHEMBL28440233 0.80 GAA (0.55) CYP1A2CYP2A6MAPTMEN1KMT2A
SCHEMBL16632544 0.80 CA12 (0.54) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL9040087 0.80 CYP1A2 (0.72) CYP1A2CYP2A6MAPTRAB9AMEN1

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
EP-1149819-B1 An improved process for acylation of naphthyl ethers COUNCIL SCIENT IND RES (IN) 2003-04-16 EP claimed