SCHEMBL3958633

SCHEMBL3958633

CCC(C)CC(NCc1cccc(OC)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.51
ANPEP P15144 1/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP13 P45452 1/20 0.49
CASR P41180 1/20 0.49
PPARA Q07869 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX2 P34913 2/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL288928 0.81 MEP1B (0.56) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL288927 0.81 MEP1B (0.56) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL3958947 0.80 ANPEP (0.62) MEN1KMT2AALDH1A1ANPEPHTT
SCHEMBL3958949 0.80 ANPEP (0.62) MEN1KMT2AALDH1A1ANPEPHTT
SCHEMBL29213358 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1ANPEPHTT
SCHEMBL2248276 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30903297 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1ANPEPHTT
SCHEMBL29213363 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1ANPEPHTT
SCHEMBL6136375 0.76 USP2 (0.56) ALDH1A1HTTSMN1; SMN2
SCHEMBL25454651 0.76 MME (0.53) MEN1KMT2AALDH1A1SMN1; SMN2PPARA

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
WO-2009035553-A2 ANALOGS OF TETRAMIC ACID UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-03-19 WO disclosed