SCHEMBL30280752

SCHEMBL30280752

CCc1c(C(=O)O)cc(I)cc1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.35
CAMKK2 Q96RR4 10/20 0.33
CAMKK1 Q8N5S9 7/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
DRD2 P14416 1/20 0.31
NOTUM Q6P988 1/20 0.31
ABCC1 P33527 1/20 0.30

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
SCHEMBL28876061 0.94 MAPT (0.37) ACMSDCAMKK2CAMKK1MAPTNOTUM
SCHEMBL30280735 0.94 MAPT (0.37) ACMSDCAMKK2CAMKK1MAPTNOTUM
SCHEMBL30280843 0.85 OPRK1 (0.37) MAPTPTGDR2DRD2
SCHEMBL30280884 0.80 CAMKK2 (0.39) ACMSDCAMKK2CAMKK1MAPTPTGDR2
SCHEMBL30280981 0.78 PDK2 (0.37) DRD2
SCHEMBL30280874 0.78 HSD17B10 (0.37) CAMKK2CAMKK1PTGDR2DRD2
SCHEMBL28023583 0.76 GABRP (0.41) HCAR2
SCHEMBL12489077 0.75 GABRP (0.36) ACMSDCAMKK2CAMKK1MAPTPTGDR2
SCHEMBL30281063 0.73 CAMKK2 (0.35) CAMKK2CAMKK1HCAR2
SCHEMBL4392864 0.72 PTGDR2 (0.44) ACMSDPTGDR2NOTUMABCC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed