SCHEMBL30989581

SCHEMBL30989581

CCCCCCCCCCCCCCCC(=O)C(C)C(N)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.53
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CES1 P23141 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL30989579 1.00 CES2 (0.53) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL29283929 1.00 CES2 (0.53) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL16678417 0.87 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL5367731 0.86 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9617945 0.86 CES2 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL2999572 0.85 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL22930635 0.83 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL14396174 0.81 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL15589124 0.81 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL4375571 0.81 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A

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
CN-118359515-A Betaine type zwitterionic lipid and preparation method thereof 大连理工大学 2024-07-19 CN disclosed