SCHEMBL31291499

SCHEMBL31291499

O=C(O)/C=C/C(=C\c1cc(C(=O)O)n[nH]1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 15/20 0.54
▸ DAO P14920 1/20 0.43
▸ HCAR3 P49019 3/20 0.40
▸ CYTH3 O43739 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ EPN1 Q9Y6I3 1/20 0.40
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL14586657 0.78 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599558 0.78 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599559 0.78 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL21810960 0.71 HCAR2 (1.00) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599209 0.67 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL14586656 0.67 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599204 0.67 HCAR2 (0.63) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5610945 0.65 HCAR2 (0.54) HCAR2DAOHCAR3MEN1KMT2A
SCHEMBL5610946 0.65 HCAR2 (0.54) HCAR2DAOHCAR3MEN1KMT2A
SCHEMBL165390 0.64 — —

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-119212697-A Novel extension functionalization strategy for water-collecting MOF 加利福尼亚大学董事会 2024-12-27 — — CN disclosed
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