SCHEMBL30227135

SCHEMBL30227135

Cc1ccc(/C=C/CC(=O)Nc2ccc(C(=O)O)cn2)cn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC2 Q92769 4/20 0.63
HCAR3 P49019 15/20 0.46
HCAR2 Q8TDS4 2/20 0.43
MAOB P27338 1/20 0.40

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
SCHEMBL26049179 1.00 HDAC3 (0.63) HDAC3HDAC1HDAC2HCAR3HCAR2
SCHEMBL24086714 0.88 HDAC1 (0.61) HDAC3HDAC1HDAC2
SCHEMBL30227186 0.85 HDAC3 (0.62) HDAC3HDAC1HDAC2MAOB
SCHEMBL23992274 0.85 HDAC3 (0.62) HDAC3HDAC1HDAC2MAOB
SCHEMBL24086713 0.82 HDAC1 (0.55) HDAC3HDAC1HDAC2
SCHEMBL25693478 0.81 HDAC1 (0.54) HDAC3HDAC1HDAC2
SCHEMBL23992185 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2
SCHEMBL30227167 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2
SCHEMBL24086703 0.76 HDAC3 (0.69) HDAC3HDAC1HDAC2MAOB
SCHEMBL12074867 0.74 PAM (0.55) HDAC3HDAC1HDAC2MAOB

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-116033904-A Histone deacetylase inhibitor for tumor microenvironment immunomodulation 华上生技医药股份有限公司 2023-04-28 CN disclosed
EP-4142733-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-03-08 EP disclosed