SCHEMBL38664154

SCHEMBL38664154

COC1Oc2cc(O)ccc2C(=O)C1(O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PSMB5 P28074 1/20 0.40
PTPN1 P18031 3/20 0.38
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
RECQL P46063 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
PRMT1 Q99873 1/20 0.37
ACE2 Q9BYF1 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
SCHEMBL571507 0.73 PTPN1 (0.45) CYP19A1MAOAMAOBPSMB5PTPN1
SCHEMBL29224820 0.68 KIT (0.46) CYP19A1MAOBPTPN1ESR1MEN1
SCHEMBL9750305 0.63 GAA (0.50) GAA
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL17963716 0.63 PTPN1 (0.61) CYP19A1MAOAMAOBPTPN1MEN1
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL572272 0.63 PTPN1 (0.61) CYP19A1MAOAMAOBPTPN1MEN1
(3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL30217561 0.63 PTPN1 (0.61) CYP19A1MAOAMAOBPTPN1MEN1
SCHEMBL23752214 0.62 CYP19A1 (0.51) CYP19A1MAOAMAOBPSMB5PTPN1
SCHEMBL29099779 0.62 PTPN1 (0.48) CYP19A1MAOAMAOBPTPN1ESR2
SCHEMBL28636824 0.62 MIF (0.41) CYP19A1MAOAMAOBPSMB5PTPN1
SCHEMBL4660890 0.62 ESR1 (0.66) CYP19A1MAOAMAOBPSMB5PTPN1

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-122055354-A Lipid compounds and related compositions and uses 波西达治疗公司 2026-05-15 CN disclosed