SCHEMBL30569656

SCHEMBL30569656

C[C@H](NC(=O)[C@@H](CS)Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.62
ACE P12821 2/20 0.56
TAAR1 Q96RJ0 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL8861655 1.00 MME (0.62) MMEACETAAR1SLC6A2SLC6A4
SCHEMBL8861615 1.00 MME (0.62) MMEACETAAR1SLC6A2SLC6A4
SCHEMBL8861624 0.93 MME (0.62) MMEACE
SCHEMBL8693644 0.87 MME (0.58) MMEACEHPGD
SCHEMBL8861700 0.87 MME (0.65) MMEACEALDH1A1LMNAHPGD
SCHEMBL8861642 0.86 HPGD (0.51) MMEACEALDH1A1HPGD
SCHEMBL8861625 0.85 ACE (0.54) MMEACETAAR1SLC6A2SLC6A4
SCHEMBL8861658 0.85 MME (0.62) MMEACECYP2D6LMNAHPGD
SCHEMBL8861605 0.84 HPGD (0.54) MMEACEHPGD
SCHEMBL3081031 0.84 ACE (0.66) MMEACETAAR1SLC6A2SLC6A4

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-20230301895-A1 NAIL FORMULATIONS AND TREATMENT REGIMES NOVABIOTICS LIMITED (GB) 2023-09-28 US disclosed