SCHEMBL18735335

SCHEMBL18735335

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAD P27708 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL18735329 0.89 L3MBTL1 (0.40) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18734968 0.85 L3MBTL1 (0.36) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735063 0.85 KMT2A (0.50) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735361 0.82 CYP1A2 (0.40) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735061 0.78 KMT2A (0.46) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL5020136 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735349 0.78 CYP1A2 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735325 0.77 KMT2A (0.41) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735350 0.76 KMT2A (0.40) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735343 0.76 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2CYP2C9

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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