SCHEMBL31307705

SCHEMBL31307705

O=C(O)c1cn(Cc2ccc(OCc3ccc4ccccc4c3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
MAOB P27338 1/20 0.46
PLA2G4B P0C869 1/20 0.46
KLKB1 P03952 1/20 0.45
MCL1 Q07820 2/20 0.45
NPC1 O15118 2/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PLA2G4A P47712 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ALOX5 P09917 1/20 0.43
MDM2 Q00987 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL31307721 0.88 RAB9A (0.48) RAB9AMAOBKLKB1NPC1FNTA
SCHEMBL31307695 0.85 RAB9A (0.46) RAB9AMRGPRX4MAOBPLA2G4BKLKB1
SCHEMBL31307752 0.85 MAOB (0.46) RAB9AMRGPRX4MAOBPLA2G4BKLKB1
SCHEMBL31307720 0.83 RAB9A (0.44) RAB9AMAOBPLA2G4BKLKB1PLA2G4A
SCHEMBL31307719 0.80 MAOB (0.41) RAB9AMAOBPLA2G4BKLKB1FNTA
SCHEMBL3688462 0.79 KDM4C (0.57) RAB9AKLKB1NPC1KDM5AKDM4C
SCHEMBL31307771 0.78 ALDH1A1 (0.52) RAB9A
SCHEMBL3875988 0.76 CYSLTR1 (0.55) MRGPRX4KDM5AKDM4CKDM5BCYSLTR1
SCHEMBL31307736 0.76 RAB9A (0.50) RAB9AMRGPRX4MAOBPLA2G4BMCL1
SCHEMBL6520384 0.76 NR4A2 (0.71) RAB9AMRGPRX4PLA2G4BNPC1CYSLTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN claimed
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN disclosed