SCHEMBL28245355

SCHEMBL28245355

O=C(/C=C/c1ccccc1O)c1cc2ccccc2oc1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.75
MGAM O43451 2/20 0.60
GAA P10253 2/20 0.60
SI P14410 2/20 0.60
MGAM2 Q2M2H8 2/20 0.60
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
BCHE P06276 1/20 0.56
GUSB P08236 1/20 0.56
CHRNA7 P36544 3/20 0.56
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
CA3 P07451 1/20 0.55
TSHR P16473 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55

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
SCHEMBL28245359 1.00 MAOB (0.75) MAOBMGAMGAASIMGAM2
SCHEMBL28458739 0.86 MAOB (1.00) MAOBGAANPC1MAPTCA12
SCHEMBL28458708 0.86 MAOB (0.73) MAOBMGAMGAASIMGAM2
SCHEMBL28459080 0.86 MAOB (0.73) MAOBMGAMGAASIMGAM2
SCHEMBL28459079 0.86 MAOB (0.73) MAOBMGAMGAASIMGAM2
SCHEMBL10700834 0.83 MAOB (0.69) MAOBMGAMGAASIMGAM2
SCHEMBL10700841 0.83 MAOB (0.69) MAOBMGAMGAASIMGAM2
SCHEMBL28458699 0.83 MAOB (0.69) MAOBNPC1MAPTRAB9ABCHE
SCHEMBL28468114 0.83 MAOB (0.69) MAOBMGAMGAASIMGAM2
SCHEMBL28468115 0.83 MAOB (0.69) MAOBMGAMGAASIMGAM2

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