SCHEMBL8366995

SCHEMBL8366995

O=CCc1cc2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
MAOA P21397 2/20 0.57
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
ADAM17 P78536 1/20 0.52
TYR P14679 1/20 0.51
DAO P14920 1/20 0.51
AKR1B1 P15121 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2A6 P11509 1/20 0.49
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
CA3 P07451 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3267547 0.85 MAOA (0.54) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL9233570 0.82 MAOA (0.51) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL7142290 0.82 POLB (0.51) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL7143401 0.82 MMP2 (0.52) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL13612673 0.82 MAOA (0.61) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL27625488 0.82 MMP2 (0.67) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL15558092 0.81 VKORC1 (0.54) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL1619109 0.80 MAOB (0.67) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL30594160 0.80 MAOB (0.67) MAOBMAOAMMP2MMP9ADAM17
SCHEMBL28468188 0.80 MMP2 (0.50) MAOBMAOAMMP2MMP9ADAM17

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
CN-113004257-B Fluorescent probe with chalcone structure, preparation method thereof and application of fluorescent probe in hydrazine detection 三峡大学 2022-04-08 CN disclosed
EP-0890363-A2 A device for nucleic acid sterilization ISAACS, Stephen T. (US) 1999-01-13 EP disclosed