SCHEMBL18735352

SCHEMBL18735352

CCOC(=O)C(CSC(=O)CC(=O)C(=O)OC(C)C)NC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NOD1 Q9Y239 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ METAP2 P50579 4/20 0.32
▸ METAP1 P53582 4/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CAD P27708 1/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL18735325 0.89 KMT2A (0.41) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735350 0.88 KMT2A (0.40) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735322 0.87 METAP2 (0.34) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735049 0.87 KMT2A (0.43) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735354 0.85 METAP2 (0.33) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18734926 0.82 ALOX15 (0.31) ALOX15
SCHEMBL18735063 0.81 KMT2A (0.50) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735061 0.80 KMT2A (0.46) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735329 0.80 L3MBTL1 (0.40) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL18735327 0.77 ACACB (0.30) KMT2APOLBACACB

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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