SCHEMBL5742816

SCHEMBL5742816

CC(C)CCCc1cccc(O)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 7/20 0.49
MCL1 Q07820 7/20 0.49
BCL2L1 Q07817 6/20 0.49
BAK1 Q16611 6/20 0.49
KAT8 Q9H7Z6 4/20 0.49
EP300 Q09472 3/20 0.49
KAT5 Q92993 3/20 0.49
SAE1 Q9UBE0 2/20 0.49
KAT2B Q92831 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KAT2A Q92830 1/20 0.49
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43

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
SCHEMBL5744962 0.85 BID (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5743029 0.81 GABRA1 (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL16431334 0.81 BID (0.71) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29256460 0.81 HTT (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29256481 0.79 HTT (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5741160 0.79 BID (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL678668 0.77 MPO (0.50) KDM4EHSD17B10CA12CA2CA9
Urea SCHEMBL27943935 0.75 MGLL (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9502964 0.75 GABRA1 (0.57) CA1CA2
SCHEMBL5742696 0.73 SLC1A5 (0.46) NFKB1NFKB2RELA

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-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed