SCHEMBL11036679

SCHEMBL11036679

CCCCCCCC(=O)[C@H](C)C=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
MEN1 O00255 1/20 0.52
FAAH O00519 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
CES1 P23141 3/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
GPR84 Q9NQS5 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
SCHEMBL10401053 1.00 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL28556942 0.98 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL14401279 0.91 CES1 (0.44) CES2MEN1FAAHMAPK1KMT2A
Sulfurous Acid SCHEMBL27988550 0.89 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
Sulfurous Acid SCHEMBL27988841 0.89 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
Sulfurous Acid SCHEMBL27988554 0.89 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
Sulfurous Acid SCHEMBL27988557 0.89 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL28081078 0.88 CES2 (0.44) CES2MEN1FAAHMAPK1KMT2A
Sulfurous Acid SCHEMBL27988829 0.87 CES2 (0.43) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL7267287 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060121-B1 CYCLIC PEPTIDE AND ITS USE AS A FUNGICIDE UNIVERSITY OF HAWAII (US) 1984-12-05 EP disclosed
EP-0060121-A1 Cyclic peptide and its use as a fungicide UNIVERSITY OF HAWAII (US) 1982-09-15 EP disclosed
US-4342751-A Majusculamide C ELI LILLY AND COMPANY (US) 1982-08-03 US disclosed