SCHEMBL22906216

SCHEMBL22906216

CSCCC(NC(C)=O)C(O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
RNPEP Q9H4A4 1/20 0.39
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSD P07339 3/20 0.33
BACE1 P56817 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 1/20 0.33
FOLH1 Q04609 1/20 0.33
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21316898 0.79 CTSK (0.53) ALDH1A1LMNACTSSCTSKBACE1
SCHEMBL9036282 0.77 ALDH1A1 (0.46) ALDH1A1RNPEPMETAP2METAP1LMNA
SCHEMBL8437037 0.75 ALDH1A1 (0.45) ALDH1A1RNPEPMETAP2METAP1LMNA
SCHEMBL13841357 0.75 ALDH1A1 (0.45) ALDH1A1RNPEPMETAP2METAP1LMNA
SCHEMBL12018961 0.73 ALDH1A1 (0.43) ALDH1A1RNPEPLMNACTSSCTSK
SCHEMBL12562326 0.73 ALDH1A1 (0.43) ALDH1A1RNPEPLMNACTSSCTSK
SCHEMBL13603010 0.73 ALDH1A1 (0.43) ALDH1A1RNPEPLMNACTSSCTSK
SCHEMBL9341827 0.72 RNPEP (0.44) ALDH1A1RNPEPMETAP2METAP1LMNA
SCHEMBL109680 0.72 LMNA (0.55) ALDH1A1RNPEPLMNAFOLH1NPSR1
SCHEMBL109681 0.72 LMNA (0.55) ALDH1A1RNPEPLMNAFOLH1NPSR1

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
WO-2021008823-A1 STABILIZATION OF RESORCINOL COMPOUNDS IN COSMETIC COMPOSITIONS UNILEVER PLC (GB) 2021-01-21 WO disclosed