SCHEMBL17903545

SCHEMBL17903545

COC(=O)c1cc2cc(O)ccc2oc1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.72
MAOA P21397 3/20 0.72
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 4/20 0.68
HPGD P15428 3/20 0.68
CA12 O43570 2/20 0.68
CA2 P00918 2/20 0.68
CA3 P07451 2/20 0.68
CA6 P23280 2/20 0.68
CA5A P35218 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
MIF P14174 2/20 0.57
PFKFB3 Q16875 1/20 0.57
ATM Q13315 1/20 0.56
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
S1PR4 O95977 1/20 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
SCHEMBL103400 0.88 MIF (0.72) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL18589240 0.85 MAOB (0.70) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL29985431 0.85 KDM4E (0.68) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL6417829 0.84 MAOB (1.00) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL1808756 0.84 MAOA (0.71) MAOAKDM4EALDH1A1HPGDCA12
SCHEMBL22502678 0.84 MEN1 (0.72) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL10651297 0.84 KDM4E (0.67) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL6835643 0.84 KDM4E (0.76) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL18752472 0.82 CA12 (0.82) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL29575367 0.82 CA12 (0.65) MAOBMAOAKDM4EALDH1A1HPGD

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
WO-2016109733-A1 HIGHLY SENSITIVE DETECTION OF BIOMOLECULES USING PROXIMITY INDUCED BIOORTHOGONAL REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-07 WO disclosed