SCHEMBL468811

SCHEMBL468811

CCCCOC(=O)C(CC(N)=O)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PLA2G2C Q5R387 2/20 0.38
ATM Q13315 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.37
NOD1 Q9Y239 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TLR2 O60603 2/20 0.36
EPHX1 P07099 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL468812 1.00 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL468708 0.95 PLA2G2C (0.43) ALDH1A1PLA2G2CSIRT6SIRT1NOD1
SCHEMBL468707 0.95 PLA2G2C (0.43) ALDH1A1PLA2G2CSIRT6SIRT1NOD1
SCHEMBL468866 0.94 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1NOD1LMNA
SCHEMBL468864 0.94 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1NOD1LMNA
SCHEMBL468752 0.94 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1NOD1LMNA
SCHEMBL468751 0.94 PLA2G2C (0.46) PLA2G2CSIRT6SIRT1NOD1LMNA
SCHEMBL468881 0.90 CAD (0.36) ALDH1A1MAPTSMN1; SMN2PLA2G2CSIRT6
SCHEMBL468882 0.90 CAD (0.36) ALDH1A1MAPTSMN1; SMN2PLA2G2CSIRT6
SCHEMBL468834 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1SMN1; SMN2PLA2G2C

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