SCHEMBL28245362

SCHEMBL28245362

COc1cc(C=CC(=O)c2cc3ccccc3oc2=O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
MAOB P27338 2/20 0.61
MAOA P21397 1/20 0.61
CXCL12 P48061 2/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PLIN1 O60240 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
PLIN5 Q00G26 1/20 0.60
ABHD5 Q8WTS1 1/20 0.60
CHRNA7 P36544 1/20 0.58
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL28245361 1.00 PTGS1 (0.64) PTGS1PTGS2MAOBMAOACXCL12
SCHEMBL28245358 0.84 MAOB (0.74) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL28245356 0.84 MAOB (0.74) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL28404511 0.82 FGFR1 (0.59) PTGS1PTGS2MAOBMAOACXCL12
SCHEMBL28404514 0.82 FGFR1 (0.59) PTGS1PTGS2MAOBMAOACXCL12
SCHEMBL22667858 0.82 MAPT (0.63) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL28458356 0.82 MAPT (0.63) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL28458698 0.82 MAOB (0.69) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL28458699 0.82 MAOB (0.69) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL30214859 0.81 MAOB (0.64) MAOBMAOAMEN1KMT2AMAPT

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-108558807-A The method of one pot process cumarin base chalcone compounds 河南中烟工业有限责任公司 2018-09-21 CN disclosed