SCHEMBL31465685

SCHEMBL31465685

COc1cc(OC)c(NC(=O)C(C)=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ACAT1 P24752 1/20 0.48
SOAT1 P35610 1/20 0.48
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18415560 0.90 MAPT (0.51) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL30977634 0.85 CYP3A4 (0.48) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL18415449 0.85 CYP3A4 (0.48) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL18415496 0.85 CYP3A4 (0.48) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL7959792 0.85 MAPT (0.50) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL28340232 0.84 CYP3A4 (0.47) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL31465669 0.83 CYP3A4 (0.46) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL31465663 0.81 ALDH1A1 (0.47) CYP3A4TSHRMAPTALDH1A1KMT2A
SCHEMBL7959789 0.79 CYP3A4 (0.49) CYP3A4TSHRMAPTKDM4ETP53
SCHEMBL9641181 0.79 CYP3A4 (0.49) CYP3A4TSHRMAPTKDM4ETP53

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-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 WO disclosed