SCHEMBL31040541

SCHEMBL31040541

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
FBP1 P09467 2/20 0.35
BCL2L1 Q07817 1/20 0.34
HIF1A Q16665 1/20 0.33
FASN P49327 1/20 0.33
PTGS2 P35354 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CTSL P07711 1/20 0.32

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
SCHEMBL31040546 0.77 PTGS1 (0.46) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL31040544 0.77 FFAR1 (0.75) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL10910737 0.74 FFAR1 (0.54) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL29287622 0.74 FBP1 (0.42) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL28227754 0.72 HIF1A (0.45) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL30100945 0.72 PTGS1 (0.58) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL31040526 0.71 FFAR1 (0.59) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL20556449 0.71 CYP3A4 (0.59) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL27537967 0.71 MEN1 (0.59) FFAR1PTGS1MEN1CYP3A4DRD3
SCHEMBL29287614 0.69 MEN1 (0.57) FFAR1PTGS1MEN1CYP3A4DRD3

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