SCHEMBL31307752

SCHEMBL31307752

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
RAB9A P51151 1/20 0.46
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
KLKB1 P03952 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PLA2G4B P0C869 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ADAM33 Q9BZ11 1/20 0.39
ADA P00813 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TRHDE Q9UKU6 1/20 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
SCHEMBL31307721 0.89 RAB9A (0.48) MAOBRAB9AADAMTS4MMP13KLKB1
SCHEMBL31307719 0.88 MAOB (0.41) MAOBRAB9AADAMTS4MMP13KLKB1
SCHEMBL31307695 0.86 RAB9A (0.46) MAOBRAB9AADAMTS4MMP13KLKB1
SCHEMBL31307705 0.85 RAB9A (0.51) MAOBRAB9AADAMTS4MMP13KLKB1
SCHEMBL31307720 0.84 RAB9A (0.44) MAOBRAB9AKLKB1PLA2G4BMAPT
SCHEMBL31307696 0.73 GRM2 (0.44) KLKB1CDK5CDK5R1TNIKTRHDE
SCHEMBL31307771 0.73 ALDH1A1 (0.52) RAB9ATNIK
SCHEMBL31307697 0.69 CYP19A1 (0.74) RAB9AFNTAFNTBMAPT
SCHEMBL31307733 0.69 MAOB (0.52) MAOB
SCHEMBL18367381 0.69 CDK5 (0.53) KLKB1CDK5CDK5R1

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