SCHEMBL1415449

SCHEMBL1415449

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.45
FOLH1 Q04609 8/20 0.43
ALDH1A1 P00352 2/20 0.42
MME P08473 1/20 0.42
PIN1 Q13526 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NAALAD2 Q9Y3Q0 4/20 0.39
RIMKLA Q8IXN7 1/20 0.39
GNPAT O15228 1/20 0.39

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
SCHEMBL2487239 0.83 NOD1 (0.51) NOD1FOLH1MMEPIN1CYP2C9
SCHEMBL2487237 0.83 NOD1 (0.51) NOD1FOLH1MMEPIN1CYP2C9
SCHEMBL19586695 0.82 FOLH1 (0.42) NOD1FOLH1ALDH1A1MMEMEN1
SCHEMBL19586694 0.82 FOLH1 (0.42) NOD1FOLH1ALDH1A1MMEMEN1
SCHEMBL4186349 0.82 ALDH1A1 (0.64) FOLH1ALDH1A1MMEMEN1LMNA
SCHEMBL4186354 0.82 ALDH1A1 (0.64) FOLH1ALDH1A1MMEMEN1LMNA
SCHEMBL3498357 0.82 NOD1 (0.46) NOD1FOLH1MMEPIN1CYP2C9
SCHEMBL15857620 0.82 ALDH1A1 (0.64) FOLH1ALDH1A1MMEMEN1LMNA
SCHEMBL3498364 0.82 NOD1 (0.46) NOD1FOLH1MMEPIN1CYP2C9
SCHEMBL6668178 0.80 NOD1 (0.62) NOD1GNPAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2293845-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE Karus Therapeutics Limited (GB) 2011-03-16 EP disclosed
WO-2009141657-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE KARUS THERAPEUTICS LIMITED (GB) 2009-11-26 WO disclosed