SCHEMBL31444803

SCHEMBL31444803

CCC(CC)CC(=O)NC(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.43
POLB P06746 2/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
NOD1 Q9Y239 2/20 0.39
HDAC2 Q92769 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE P12821 1/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 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
SCHEMBL15928856 0.83 MME (0.51) MMEPOLBLMNAMAPTACE
SCHEMBL31447099 0.82 MME (0.46) MMEPOLBCA2CA4NOD1
SCHEMBL18263282 0.81 NOD1 (0.39) MMEPOLBCA2CA4NOD1
SCHEMBL20212363 0.81 NOD1 (0.39) MMEPOLBCA2CA4NOD1
SCHEMBL1912625 0.80 CYP2C9 (0.46) MMEPOLBCA2CA4NOD1
SCHEMBL2081023 0.80 CYP2C9 (0.46) MMEPOLBCA2CA4NOD1
SCHEMBL7753529 0.78 MME (0.42) MMEPOLBCA2CA4NOD1
SCHEMBL15623817 0.77 NOD1 (0.61) NOD1
SCHEMBL1133639 0.77 POLB (0.40) MMEPOLBCA2CA4NOD1
SCHEMBL8468722 0.77 POLB (0.40) MMEPOLBCA2CA4NOD1

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed