SCHEMBL30132718

SCHEMBL30132718

O=C(/C=C/C1C=CC=CC1)c1ccccc1O.[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
BCHE P06276 2/20 0.44
CYP2C19 P33261 1/20 0.44
GUSB P08236 1/20 0.44
MAOB P27338 7/20 0.42
MAOA P21397 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSP90AA1 P07900 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28417375 0.99 MAPT (0.45) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL30132716 0.99 MAPT (0.45) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL30132715 0.99 MAPT (0.45) MAPTBCHECYP2C19GUSBMAOB
Potassium SCHEMBL30132698 0.97 MAPT (0.44) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL28421259 0.97 MAPT (0.44) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL28418761 0.97 MAPT (0.44) MAPTBCHECYP2C19GUSBMAOB
SCHEMBL28098802 0.82 CYP3A4 (0.48) MAPTCYP2C19MAOBMAOAKMT2A
SCHEMBL29561663 0.80 MAPT (0.42) MAPTBCHECYP2C19MAOBKMT2A
SCHEMBL30573 0.80 MAPT (0.42) MAPTBCHECYP2C19MAOBKMT2A
SCHEMBL28251467 0.80 MAPT (0.42) MAPTBCHECYP2C19MAOBKMT2A

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
CN-111217690-B Preparation method of propafenone hydrochloride and intermediate 2' -hydroxy dihydrochalcone thereof 临沂大学(CN) 2023-01-13 CN disclosed