SCHEMBL9518229

SCHEMBL9518229

CCCC[C@](N)(C(=O)O)C(=O)n1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
STAT6 P42226 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15756304 0.73 NPC1 (0.52) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
Carbamic Acid SCHEMBL11116536 0.72 ASAH1 (0.81) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13092515 0.71 ASAH1 (0.66) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13092517 0.71 ASAH1 (0.66) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL24361120 0.71 SMN1; SMN2 (0.50) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL722366 0.70 ASAH1 (0.57) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL29145117 0.70 ASAH1 (0.57) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10654951 0.70 ASAH1 (0.90) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL670048 0.70 ASAH1 (0.48) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL19848351 0.70 KMT2A (0.53) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed