SCHEMBL28722650

SCHEMBL28722650

CCCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.71
ALDH1A1 P00352 7/20 0.70
HPGD P15428 7/20 0.70
USP2 O75604 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
CA9 Q16790 3/20 0.59
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56

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
SCHEMBL28720757 0.97 MAOB (0.68) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722470 0.95 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL21629528 0.90 ALDH1A1 (0.81) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12886696 0.90 ALDH1A1 (0.77) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL28287385 0.88 HPGD (0.57) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722471 0.87 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722468 0.87 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL21629627 0.86 ALDH1A1 (0.83) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL8834992 0.84 MAOB (0.67) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL24227373 0.83 MAOB (0.65) MAOBALDH1A1HPGDUSP2SMN1; SMN2

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-114349729-B Coumarin derivative and preparation method and application thereof 包头稀土研究院 2023-07-18 CN disclosed
CN-114349729-A Coumarin derivative and preparation method and application thereof 包头稀土研究院 2022-04-15 CN disclosed