SCHEMBL4664545

SCHEMBL4664545

CCCC(=O)NCCC1=C(C)C(=O)CC=C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP2 P42575 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL17335855 0.65 HPGD (0.73) HPGDHSD17B10POLBALDH1A1SMN1; SMN2
SCHEMBL2633147 0.65 CASP2 (0.70) HPGDALDH1A1CASP2
SCHEMBL1690856 0.63 HPGD (0.71) HPGDALDH1A1
SCHEMBL2794119 0.63 LMNA (0.56) HPGDHSD17B10KDM4EPOLBMAPT
SCHEMBL840681 0.63
SCHEMBL16120761 0.62 PTGS1 (0.46) HPGDMAPTTSHRALDH1A1MTNR1A
SCHEMBL2724897 0.62 HPGD (0.73) HPGDHSD17B10KDM4EMAPTALDH1A1
SCHEMBL29126682 0.62 HPGD (0.68) HPGDHSD17B10MAPTALDH1A1
SCHEMBL14576993 0.61 CASP2 (0.78) TSHRCASP2
SCHEMBL7537764 0.61 CASP2 (0.86) HPGDCASP2

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-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP disclosed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed