SCHEMBL3469347

SCHEMBL3469347

Cc1nc(-c2ccc(OCCCCCOc3ccc(C(=O)NO)cc3)cc2)c(C(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
PPARG P37231 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PPARA Q07869 1/20 0.41
SMPD1 P17405 1/20 0.41
RARB P10826 4/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP1 P03956 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL729742 0.87 MEN1 (0.37) HDAC1PPARGMEN1KMT2AHRH3
SCHEMBL727316 0.87 MEN1 (0.37) HDAC1PPARGMEN1KMT2AHRH3
SCHEMBL729234 0.86 MEN1 (0.38) HDAC1PPARGMEN1KMT2AHRH3
SCHEMBL1685013 0.85 MEN1 (0.36) HDAC1PPARGMEN1KMT2ARARB
SCHEMBL3175452 0.85 MEN1 (0.36) HDAC1PPARGMEN1KMT2ARARB
SCHEMBL727594 0.84 MEN1 (0.38) HDAC1MEN1KMT2AHRH3SMPD1
SCHEMBL11936601 0.83 MEN1 (0.38) MEN1KMT2AHRH3RARBGAA
SCHEMBL727965 0.83 PRMT1 (0.53) HRH3
SCHEMBL3262577 0.82 MEN1 (0.39) MEN1KMT2AHRH3RARBGAA
SCHEMBL3247028 0.82 MEN1 (0.34) HDAC1PPARGMEN1KMT2ARARB

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
EP-2177219-A1 PREVENTIVE AGENT OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY ABNORMAL BONE METABOLISM Teijin Pharma Limited (JP) 2010-04-21 EP disclosed