SCHEMBL329892

SCHEMBL329892

CC(C)(C)OC(=O)N(CCCCCC(=O)ON1C(=O)CCC1=O)CCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 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
SCHEMBL23901170 0.89 CA14 (0.36) CA14HDAC1HDAC2HDAC6
SCHEMBL557540 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL905423 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL11920409 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL25434198 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL905426 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL1676918 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL1510015 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL558796 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2
SCHEMBL11920413 0.85 EPHX2 (0.39) HDAC1HDAC2HDAC6KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed