SCHEMBL21213879

SCHEMBL21213879

c1ccc(COc2ccc3c(c2)OCCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 1.00
MAOA P21397 11/20 1.00
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
NFKB1 P19838 1/20 0.63
GRM5 P41594 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TSHR P16473 1/20 0.55
ALOX5 P09917 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
SCHEMBL4731619 0.90 MAOB (1.00) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL21213963 0.84 MAOB (1.00) MAOBMAOANPC1RAB9ATSHR
SCHEMBL12470264 0.83 MAOB (0.70) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL21213375 0.82 MAOB (0.69) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL12502194 0.81 MAOB (0.68) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL21780864 0.80 MAOB (0.67) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL30539326 0.80 MAOB (0.67) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL12469960 0.80 MAOB (0.67) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL21412915 0.80 MAOB (0.67) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL21780862 0.79 MAOB (0.65) MAOBMAOANPC1RAB9AALDH1A1

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-2019145719-A1 INHIBITORS OF RAS-EFFECTOR PROTEIN INTERACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO disclosed