SCHEMBL24901899

SCHEMBL24901899

O=CC12CCC(c3cccc(OCc4ccccc4)c3)(CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 2/20 0.52
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
BCHE P06276 2/20 0.47
NR4A2 P43354 1/20 0.46
ADAM17 P78536 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
LCK P06239 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
MMP13 P45452 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
SCHEMBL24901894 0.80 CYP4F2 (0.51) MAOBMAOABCHENR4A2ADAM17
SCHEMBL24901900 0.80 NR4A2 (0.50) MAOBMAOANR4A2ADAM17KDM4E
SCHEMBL7582234 0.77 ALOX5 (0.62) MAOBMAOACCNB2CDK1CDK4
SCHEMBL24901890 0.76 ADAM17 (0.49) MAOBBCHENR4A2ADAM17
SCHEMBL25155645 0.75 MAOB (0.57) MAOBMAOACCNB2CDK1CDK4
SCHEMBL2447393 0.74 PNMT (0.54) MAOBMAOAALDH1A1
SCHEMBL10083334 0.74 MAOB (0.57) MAOBMAOANR4A2ADAM17KDM4E
SCHEMBL6584414 0.72 CYP4F2 (0.51) MAOBMAOABCHENR4A2ADAM17
SCHEMBL2959082 0.72 CYP4F2 (0.51) MAOBMAOABCHENR4A2ADAM17
SCHEMBL25838752 0.72 OPRD1 (0.41) ALDH1A1

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-2023001237-A1 GLUCAGON-LIKE PEPTIDE-1 RECEPTOR MODULATORS AND USES THEREOF Hepagene Therapeutics (HK) Limited (CN) 2023-01-26 WO disclosed