SCHEMBL30381560

SCHEMBL30381560

COc1ccc(Cl)cc1C(=O)NCCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.79
HDAC6 Q9UBN7 2/20 0.79
DNMT3A Q9Y6K1 1/20 0.78
NLRP3 Q96P20 3/20 0.71

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
SCHEMBL11481071 1.00 HDAC1 (0.79) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11487522 0.93 DNMT3A (0.75) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11489672 0.92 HDAC1 (0.78) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11474785 0.92 DNMT3A (0.73) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11471953 0.91 DNMT3A (0.72) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11481498 0.91 DNMT3A (0.72) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11487290 0.91 DNMT3A (0.72) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11356587 0.91 DNMT3A (0.78) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11471028 0.91 HDAC1 (0.79) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL11488803 0.91 PPARA (0.67) HDAC1HDAC6DNMT3ANLRP3

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
EP-4419209-A1 COMBINATION DECITABINE AND MPS1 INHIBITOR THERAPY TO PRIME CANCER IMMUNOGENICITY Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069943-A1 COMBINATION DECITABINE AND MPS1 INHIBITOR THERAPY TO PRIME CANCER IMMUNOGENICITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed