SCHEMBL468856

SCHEMBL468856

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
FAAH O00519 1/20 0.47
PLA2G2C Q5R387 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAD52 P43351 1/20 0.45
EPHX1 P07099 1/20 0.45
PLA2G2A P14555 2/20 0.44
TSHR P16473 2/20 0.44
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.43
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL468854 1.00 NAAA (0.51) NAAAFAAHPLA2G2CNPSR1MAPT
SCHEMBL468819 1.00 NAAA (0.51) NAAAFAAHPLA2G2CNPSR1MAPT
SCHEMBL468820 1.00 NAAA (0.51) NAAAFAAHPLA2G2CNPSR1MAPT
SCHEMBL468833 0.94 ALDH1A1 (0.46) NAAAFAAHPLA2G2CNPSR1MAPT
SCHEMBL468834 0.94 ALDH1A1 (0.46) NAAAFAAHPLA2G2CNPSR1MAPT
SCHEMBL468847 0.87 MAPT (0.36) NAAAPLA2G2CNPSR1MAPTMAPK1
SCHEMBL468849 0.87 MAPT (0.36) NAAAPLA2G2CNPSR1MAPTMAPK1
SCHEMBL468864 0.86 PLA2G2C (0.46) NAAAPLA2G2CEPHX1TSHRNOD1
SCHEMBL468751 0.86 PLA2G2C (0.46) NAAAPLA2G2CEPHX1TSHRNOD1
SCHEMBL468752 0.86 PLA2G2C (0.46) NAAAPLA2G2CEPHX1TSHRNOD1

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