SCHEMBL468752

SCHEMBL468752

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 6/20 0.46
EPHX1 P07099 1/20 0.44
NOD1 Q9Y239 2/20 0.43
TSHR P16473 2/20 0.42
NAAA Q02083 1/20 0.42
TLR2 O60603 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL468864 1.00 PLA2G2C (0.46) PLA2G2CEPHX1NOD1TSHRNAAA
SCHEMBL468866 1.00 PLA2G2C (0.46) PLA2G2CEPHX1NOD1TSHRNAAA
SCHEMBL468751 1.00 PLA2G2C (0.46) PLA2G2CEPHX1NOD1TSHRNAAA
SCHEMBL468707 0.98 PLA2G2C (0.43) PLA2G2CEPHX1NOD1TSHRNAAA
SCHEMBL468708 0.98 PLA2G2C (0.43) PLA2G2CEPHX1NOD1TSHRNAAA
SCHEMBL468812 0.94 ALDH1A1 (0.44) PLA2G2CEPHX1NOD1TSHRTLR2
SCHEMBL468811 0.94 ALDH1A1 (0.44) PLA2G2CEPHX1NOD1TSHRTLR2
SCHEMBL468881 0.87 CAD (0.36) PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468882 0.87 CAD (0.36) PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468819 0.86 NAAA (0.51) PLA2G2CEPHX1NOD1TSHRNAAA

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