SCHEMBL27771306

SCHEMBL27771306

CCCCCCCCCCCCOc1ccc2cc(C(=O)O)c(=O)oc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.79
MAOA P21397 4/20 0.79
SLC16A3 O15427 5/20 0.67
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA3 P07451 1/20 0.56
CA6 P23280 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5A P35218 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL7334631 1.00 MAOB (0.79) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL31206415 0.89 MAOB (0.77) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL28918835 0.89 MAOB (0.77) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL7340338 0.88 MAOB (1.00) MAOBMAOAALDH1A1CA12CA2
SCHEMBL27750409 0.88 MAOB (1.00) MAOBMAOAALDH1A1CA12CA2
SCHEMBL31206399 0.88 MAOB (0.75) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL30382891 0.86 SLC16A3 (0.72) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL28918549 0.86 MAOB (0.72) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL28999673 0.86 SLC16A3 (0.72) MAOBMAOASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL26603107 0.86 KDM4E (0.69) MAOBMAOASLC16A3ALDH1A1CA12

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-101481371-A Benzo pyran derivative, and synthesis and use thereof DELEI KONG (CN) 2009-07-15 CN claimed
CN-101481371-A Benzo pyran derivative, and synthesis and use thereof DELEI KONG (CN) 2009-07-15 CN disclosed