SCHEMBL30934603

SCHEMBL30934603

CC(=O)Cc1ccc2[nH]cc(C(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
PRKAB2 O43741 3/20 0.47
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAA1 Q13131 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL25253727 1.00 F7 (0.55) F7F3GABRA1GABRB2PRKAB2
SCHEMBL2056326 0.84 GABRA1 (0.63) F7F3GABRA1GABRB2GABRB1
SCHEMBL4232312 0.83 KDM4E (0.57) F7F3GABRA1GABRB2KDM4E
SCHEMBL25025827 0.81 GABRA1 (0.40) F7F3GABRA1GABRB2LMNA
SCHEMBL16431353 0.81 F7 (0.51) F7F3GABRA1GABRB2PRKAB2
SCHEMBL25253754 0.80 STING1 (0.45) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL23622949 0.79 PRKAB2 (0.63) F7F3GABRA1GABRB2PRKAB2
SCHEMBL6628762 0.79 ALDH1A1 (0.51) F7F3GABRA1GABRB2LMNA
SCHEMBL17106890 0.79 F7 (0.52) F7F3GABRA1GABRB2PRKAB2
SCHEMBL396402 0.76 GABRA1 (0.73) GABRA1GABRB2KDM4EHTTGABRB1

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-118119595-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-05-31 CN disclosed