SCHEMBL7950205

SCHEMBL7950205

CCC(C)OC(=O)[C@@H]1CCCN2C(=O)CCC(N3C(=O)c4ccccc4C3=O)C(=O)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CASP1 P29466 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.35
LCK P06239 4/20 0.35
IL1B P01584 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
CASP3 P42574 1/20 0.34
CASP8 Q14790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
OPRM1 P35372 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7950212 1.00 MME (0.40) MMEACECASP1L3MBTL1KMT2A
SCHEMBL7158797 0.85 MME (0.41) MMEACECASP1L3MBTL1KMT2A
SCHEMBL7034916 0.85 MME (0.41) MMEACECASP1L3MBTL1KMT2A
SCHEMBL7615481 0.83 ACE (0.38) MMEACECASP1L3MBTL1HSD17B10
SCHEMBL7612828 0.83 ACE (0.38) MMEACECASP1L3MBTL1HSD17B10
SCHEMBL7615477 0.83 ACE (0.38) MMEACECASP1L3MBTL1HSD17B10
SCHEMBL5154587 0.81 ACE (0.51) MMEACECASP1HSD17B10IL1B
SCHEMBL5154165 0.81 ACE (0.51) MMEACECASP1HSD17B10IL1B
SCHEMBL5154520 0.81 ACE (0.51) MMEACECASP1HSD17B10IL1B
SCHEMBL5154528 0.81 ACE (0.51) MMEACECASP1HSD17B10IL1B

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
US-6258947-B1 CHEMICAL INTERMEDIATE FOR DRUGS AVENTIS PHARMA S.A. (FR) 2001-07-10 US disclosed