SCHEMBL25989883

SCHEMBL25989883

COB(O)c1cccc2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.45
CDC14B O60729 1/20 0.40
CDC14A Q9UNH5 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL1579938 0.85 MAOA (0.46) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL30955967 0.85 MAOA (0.46) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL22824328 0.84 MAOA (0.38) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL21277267 0.82 CDC14B (0.45) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL19124946 0.81 ADRB2 (0.38) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL31286355 0.76 MAOA (0.41) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL26941300 0.76 MAOA (0.41) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL22908125 0.75 MAOA (0.41) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL31286370 0.75 MAOA (0.41) MAOACDC14BCDC14AKDM4EALDH1A1
SCHEMBL21120883 0.75 MAOA (0.44) MAOACDC14BCDC14AKDM4EALDH1A1

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-2023152063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-17 WO disclosed