SCHEMBL18735142

SCHEMBL18735142

CCOC(=O)CC(=O)SCC(NC(=O)CC)C(=O)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CCKBR P32239 1/20 0.31
▸ GLO1 Q04760 1/20 0.31

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
SCHEMBL18735186 0.89 CYP2C9 (0.30) CYP2C9
SCHEMBL18735109 0.87 CYP2C9 (0.34) KMT2ACYP2C9
SCHEMBL18735399 0.87 CYP2C9 (0.34) KMT2ACYP2C9
SCHEMBL18734935 0.87 KMT2A (0.32) KMT2APOLBL3MBTL1
SCHEMBL18734968 0.87 L3MBTL1 (0.36) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL18735180 0.86 ALOX15 (0.32) —
SCHEMBL18735159 0.86 MGAM (0.35) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL18735063 0.85 KMT2A (0.50) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL18735173 0.84 MGAM (0.33) KMT2APOLBL3MBTL1GAAMGAM
SCHEMBL18735395 0.83 SMN1; SMN2 (0.33) KMT2ACYP2C9

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-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
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