SCHEMBL30858764

SCHEMBL30858764

Cc1cc(O)cc(Oc2cc(C)cc(OCc3ccc(Br)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.50
MAOA P21397 6/20 0.48
APP P05067 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMPD1 P17405 1/20 0.41
MEN1 O00255 1/20 0.41
SLC26A4 O43511 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL29261481 1.00 MAOB (0.50) MAOBMAOAAPPRXRARXRB
SCHEMBL29261631 0.85 GRM5 (0.51) MAOBMAOAAPPALDH1A1HPGD
SCHEMBL29261479 0.85 MAOB (0.56) MAOBMAOAFFAR1FFAR4
SCHEMBL30858763 0.85 MAOB (0.56) MAOBMAOAFFAR1FFAR4
SCHEMBL11931427 0.78 GRM5 (0.56) MAOBAPPNPC1ALDH1A1HTT
SCHEMBL18415594 0.78 GRM5 (0.56) MAOBMAOAAPPMEN1KMT2A
SCHEMBL4516341 0.78 CYP1A2 (0.58) MAOBLMNAMEN1KMT2A
SCHEMBL30994413 0.78 CYP1A2 (0.58) MAOBLMNAMEN1KMT2A
SCHEMBL29261480 0.77 PARP10 (0.45) MAOBNPC1ALDH1A1HTTRAB9A
SCHEMBL30858765 0.77 PARP10 (0.45) MAOBNPC1ALDH1A1HTTRAB9A

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
CN-117945867-A Antibacterial active benzyl phenyl ether derivative and preparation method thereof 海南师范大学 2024-04-30 CN disclosed