SCHEMBL3402854

SCHEMBL3402854

COc1ccc(C(C)=O)c(-n2cc(O)c3ccc(Cl)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 4/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAOA P21397 2/20 0.40
FADS1 O60427 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
P2RX1 P51575 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
PNLIP P16233 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK8 P45983 1/20 0.38
KCNH2 Q12809 1/20 0.38
ABCB11 O95342 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
SCHEMBL3407763 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDMAPK1MAPT
SCHEMBL3404051 0.82 EGFR (0.48) HPGDMAPTKMT2AFADS1MEN1
SCHEMBL3409035 0.80 MAPT (0.44) ALDH1A1CYP3A4HPGDMAPTKMT2A
SCHEMBL154556 0.75 NPC1 (0.46) KMT2ARAB9ANPC1MEN1
SCHEMBL154554 0.74 SLC5A2 (0.36) CYP3A4RAB9ANPC1MAPK8
SCHEMBL3409107 0.74 GAA (0.44) ALDH1A1MAPTKMT2AMAPK8
SCHEMBL3406738 0.72 KCNMA1 (0.46) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL3402632 0.68 HTT (0.45) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL28693273 0.67 MTNR1A (0.49) ALDH1A1CYP3A4HPGDMAPK1MAPT
Paeonol SCHEMBL1449478 0.67 HPGD (1.00) ALDH1A1CYP3A4HPGDMAPK1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed