SCHEMBL8828876

SCHEMBL8828876

CCCCCC1=NCCC(=O)N1CCCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.45
FAAH O00519 3/20 0.45
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CYP19A1 P11511 12/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL371216 0.74 MGLL (0.70) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL7035034 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL735230 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL31452685 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL8863096 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL8862894 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL40386 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL9307539 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL5970073 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1
SCHEMBL7198335 0.73 MGLL (0.68) MGLLFAAHPTGS1PTGS2CYP19A1

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
US-5629264-A 2-aryl-5,6-dihydropyrimidinones and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1997-05-13 US disclosed
EP-0733622-A1 2-Aryl-5,6-dihydropyrimidinones and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-09-25 EP disclosed