SCHEMBL7004339

SCHEMBL7004339

COc1cc(OC)c(C)c(-c2nccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
CYP2A6 P11509 1/20 0.41
SCN9A Q15858 5/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NQO1 P15559 1/20 0.39
FLT3 P36888 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL7003760 0.82 S1PR1 (0.48) CYP2A6SCN9AMAPTL3MBTL1KDM4E
SCHEMBL7007771 0.81 SCN9A (0.46) MAOACYP2A6SCN9ACYP2D6L3MBTL1
SCHEMBL7004310 0.81 CYP2A6 (0.39) MAOACYP2A6MAPTL3MBTL1KDM4E
SCHEMBL28431110 0.80 SCN9A (0.48) MAOACYP2A6SCN9AEGFRMAPT
SCHEMBL7004327 0.80 S1PR1 (0.39) CYP2A6MAPTL3MBTL1KDM4ENPC1
SCHEMBL954159 0.78 ALDH1A1 (0.54) MAOACYP2A6SCN9AEGFRMAPT
SCHEMBL12320582 0.78 CRHR1 (0.50) MAOACYP2A6SCN9ACYP2D6L3MBTL1
SCHEMBL7005152 0.77 CYP2A6 (0.53) MAOACYP2A6MAPTCYP2D6L3MBTL1
SCHEMBL14327746 0.74 MAPT (0.49) MAOACYP2A6MAPTCYP2D6RAB9A
SCHEMBL1445543 0.74 LMNA (0.45) MAOACYP2D6KDM4ENPC1RAB9A

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-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed