SCHEMBL31040544

SCHEMBL31040544

CCC(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.75
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
PTGS1 P23219 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 1/20 0.53
PLA2G2A P14555 1/20 0.49
PLA2G5 P39877 1/20 0.49
FBP1 P09467 2/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.38
DBH P09172 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
CA9 Q16790 1/20 0.37
BCL2L1 Q07817 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FASN P49327 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL9752901 0.90 FFAR1 (0.66) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL9752926 0.87 FFAR1 (1.00) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL10910737 0.83 FFAR1 (0.54) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL27537967 0.79 MEN1 (0.59) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL31040526 0.79 FFAR1 (0.59) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL31040541 0.77 FFAR1 (0.47) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL10910879 0.76 MEN1 (0.55) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL10910742 0.76 MEN1 (0.55) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL20556449 0.76 CYP3A4 (0.59) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL31040547 0.75 PLA2G2A (0.77) FFAR1MEN1CYP3A4PTGS1DRD3

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-118439942-A M-benzene three-class compound and preparation method and application thereof 广东药科大学 2024-08-06 CN disclosed