SCHEMBL9067657

SCHEMBL9067657

CC(=O)N(CC(=O)N[C@H](CO)C(=O)NCC(=O)O)SC(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.34
MME P08473 6/20 0.34
ACE P12821 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MMP8 P22894 1/20 0.34
OPRD1 P41143 3/20 0.33
OPRM1 P35372 2/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33

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
SCHEMBL6811299 0.81 MTNR1A (0.35) GPR139KMT2AMEN1ALDH1A1HPGD
SCHEMBL9067654 0.75 GPR139 (0.47) GPR139MMEACEKMT2AMEN1
SCHEMBL9067650 0.70 ACE (0.40) GPR139MMEACEKMT2AMEN1
SCHEMBL1358406 0.67 MME (0.45) MMEACEKMT2AMEN1MMP8
SCHEMBL29758904 0.67 ALDH1A1 (0.47) MMEACEALDH1A1MAPTECE1
SCHEMBL10940525 0.65 CTSL (0.46) MMEACEKMT2AMEN1ALDH1A1
SCHEMBL30123547 0.65 CTSC (0.52) MMEACEKMT2AMEN1OPRD1
SCHEMBL10940533 0.65 CTSL (0.46) MMEACEKMT2AMEN1ALDH1A1
SCHEMBL10505335 0.65 MME (0.48) GPR139MMEACEKMT2AMEN1
SCHEMBL10939141 0.65 MME (0.45) MMEACEKMT2AMEN1ALDH1A1

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-5534497-A RADIOPHARMACEUTICALS; MEDICAL DIAGNOSIS MALLINCKRODT MEDICAL, INC. (US) 1996-07-09 US disclosed