SCHEMBL28720757

SCHEMBL28720757

CCCCOc1ccc2c(-c3ccc(-c4ccccc4)cc3)cc(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.68
ALDH1A1 P00352 7/20 0.67
HPGD P15428 7/20 0.67
USP2 O75604 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
CA9 Q16790 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL28722650 0.97 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722470 0.93 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL21629528 0.88 ALDH1A1 (0.81) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL28287385 0.88 HPGD (0.57) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12886696 0.87 ALDH1A1 (0.77) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722471 0.85 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL12722468 0.85 MAOB (0.71) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL21629627 0.84 ALDH1A1 (0.83) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL8834992 0.82 MAOB (0.67) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL24227373 0.81 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