SCHEMBL30280666

SCHEMBL30280666

CCc1cc(-c2nnc(CCOC)[nH]2)cc(C(=O)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
FASN P49327 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGER4 P35408 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
SCHEMBL30280784 0.87 HCAR2 (0.36) HCAR2POLBTDP1L3MBTL1PTGER4
SCHEMBL30280911 0.81 AKR1C2 (0.35) HCAR2FASN
SCHEMBL12489429 0.79 FASN (0.39) HCAR2FASNPOLBTDP1L3MBTL1
SCHEMBL30280993 0.78 AKR1C2 (0.37) HCAR2PTGER4
SCHEMBL12488318 0.77 HCAR2 (0.37) HCAR2FASNPOLBTDP1L3MBTL1
SCHEMBL12489139 0.76 FASN (0.38) HCAR2FASNPOLBTDP1L3MBTL1
SCHEMBL12489130 0.76 FASN (0.38) HCAR2FASNPOLBTDP1L3MBTL1
SCHEMBL30280695 0.76 HCAR2 (0.34) HCAR2FASNPOLB
SCHEMBL12488381 0.74 FASN (0.39) HCAR2FASNPOLBTDP1L3MBTL1
SCHEMBL12489448 0.68 FASN (0.39) HCAR2FASN

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