SCHEMBL25904261

SCHEMBL25904261

CCCOc1ccc2c(c1)C(=O)OC21COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.43
MAOB P27338 8/20 0.43
CYP3A4 P08684 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL25903921 0.87 PDK2 (0.43) MAOAMAOBCA12CA1CA2
SCHEMBL30506984 0.87 MAOA (0.40) MAOAMAOBCYP3A4MAPTNPC1
SCHEMBL25317632 0.87 MAOA (0.40) MAOAMAOBCYP3A4MAPTNPC1
SCHEMBL26029590 0.84 PDK2 (0.36) MAOAMAOBCYP3A4CA12CA1
SCHEMBL25317399 0.81 MAOB (0.55) MAOAMAOBCA12CA1CA2
SCHEMBL26023399 0.74 AVPR1A (0.47) CA1CA2CA7CA9KDM4E
SCHEMBL1993746 0.72 CA12 (0.39) MAOAMAOBCYP3A4CA12CA1
SCHEMBL13709098 0.72 CYP3A4 (0.47) CYP3A4PDK2ALDH1A1HPGDTSHR
SCHEMBL31394738 0.71 AVPR1A (0.47) CA1CA2CA7CA9L3MBTL1
SCHEMBL25313161 0.71 AVPR1A (0.47) MAOAMAOBCYP3A4CA1CA2

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed