SCHEMBL22753299

SCHEMBL22753299

CCCC(NC(=O)C(NC)C(C)C)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 7/20 0.43
PLA2G2A P14555 2/20 0.43
PLA2G5 P39877 2/20 0.43
MAPT P10636 1/20 0.42
MME P08473 1/20 0.40
CTSK P43235 1/20 0.39

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
SCHEMBL17305539 0.90 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL23901487 0.89 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL17305530 0.89 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL19750997 0.88 MME (0.46) FOLH1PLA2G2APLA2G5MME
SCHEMBL24140824 0.79 MME (0.34) PLA2G2APLA2G5MMECTSK
SCHEMBL17305535 0.78 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL31634304 0.78 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL31116669 0.78 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL25455583 0.77 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL11305064 0.77 ENPEP (0.34) MME

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-10856562-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2020-12-08 US disclosed