SCHEMBL9853724

SCHEMBL9853724

O=C(O)[C@H](CS)N1C(=O)CC(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
ACE P12821 4/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPM1B O75688 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16339806 0.83 MME (0.47) MMEALDH1A1PKMCYP2C19CYP1A2
SCHEMBL8565353 0.80 MME (0.47) MMEALDH1A1PKMCYP2C19CYP1A2
SCHEMBL18137281 0.78 MAPT (0.42) MMEALDH1A1PKMACESMN1; SMN2
SCHEMBL4594736 0.77 MAPK1 (0.46) MMEALDH1A1ACECYP2C19CYP1A2
SCHEMBL9291274 0.76 MME (0.44) MMEACECYP2C19CYP1A2
SCHEMBL8818604 0.76 CYP2C19 (0.44) MMEALDH1A1CYP2C19CYP1A2PPM1B
SCHEMBL230931 0.75 POLB (0.56) MMEALDH1A1PKM
SCHEMBL5162325 0.74 ALDH1A1 (0.56) MMEALDH1A1PKMACECYP2C19
SCHEMBL10703610 0.71 ALDH1A1 (0.36) MMEALDH1A1PKMACECYP2C19
SCHEMBL4794872 0.70 ALDH1A1 (0.47) MMEALDH1A1PKMACECYP2C19

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
EP-0440298-A1 Topical preparations for treating human nails BROCADES PHARMA B.V. (NL) 1991-08-07 EP disclosed