SCHEMBL468844

SCHEMBL468844

CCCCCCCCOC(=O)CC[C@H](NC(C)=O)C(=O)OCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
PLA2G2A P14555 2/20 0.51
NOD1 Q9Y239 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.49
NAAA Q02083 1/20 0.49
DGKA P23743 1/20 0.49
PLA2G2C Q5R387 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2C P28335 1/20 0.48
FAAH O00519 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL468843 1.00 KMT2A (0.51) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468841 1.00 KMT2A (0.51) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468842 1.00 KMT2A (0.51) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468747 0.94 KMT2A (0.51) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468748 0.94 KMT2A (0.51) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL27561518 0.88 PLA2G2C (0.60) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468904 0.88 L3MBTL1 (0.53) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL468906 0.88 L3MBTL1 (0.53) KMT2APLA2G2ANOD1MEN1ALDH1A1
SCHEMBL8526560 0.87 KMT2A (0.69) KMT2ANOD1MEN1POLBNAAA
SCHEMBL7043919 0.87 NOD1 (0.52) KMT2APLA2G2ANOD1MEN1ALDH1A1

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-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed