SCHEMBL31233338

SCHEMBL31233338

COCOc1cc(O)c(C(=O)/C=C/c2ccc(OCOC)c(CC=C(C)C)c2)c(OCOC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
CYP3A4 P08684 3/20 0.51
MAPT P10636 3/20 0.51
ABCG2 Q9UNQ0 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
PTPN1 P18031 3/20 0.48
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 2/20 0.48
MCL1 Q07820 1/20 0.48
ALOX5 P09917 2/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL25198150 1.00 CYP19A1 (0.56) CYP19A1CYP3A4MAPTABCG2KDM4E
SCHEMBL25265263 1.00 CYP19A1 (0.56) CYP19A1CYP3A4MAPTABCG2KDM4E
SCHEMBL30383159 0.87 CYP19A1 (0.71) CYP19A1CYP3A4MAPTABCG2MEN1
SCHEMBL3299185 0.87 CYP19A1 (0.71) CYP19A1CYP3A4MAPTABCG2MEN1
SCHEMBL3299183 0.87 CYP19A1 (0.71) CYP19A1CYP3A4MAPTABCG2MEN1
SCHEMBL9578271 0.85 ABCG2 (0.62) CYP3A4MAPTABCG2KDM4EMEN1
SCHEMBL9578276 0.85 ABCG2 (0.62) CYP3A4MAPTABCG2KDM4EMEN1
SCHEMBL30383008 0.85 ABCG2 (0.62) CYP3A4MAPTABCG2KDM4EMEN1
SCHEMBL9578081 0.84 ABCB1 (0.60) CYP19A1PTPN1ALOX5PDPK1TTR
SCHEMBL9578238 0.84 ABCB1 (0.60) CYP19A1PTPN1ALOX5PDPK1TTR

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed