SCHEMBL18735331

SCHEMBL18735331

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 9/20 0.33
▸ METAP1 P53582 6/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 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
SCHEMBL18735377 0.93 MGAM (0.38) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735375 0.90 METAP2 (0.32) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735378 0.90 METAP2 (0.32) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735371 0.86 L3MBTL1 (0.35) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735059 0.86 KMT2A (0.33) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18734958 0.80 MGAM (0.33) METAP2METAP1L3MBTL1
SCHEMBL18735351 0.80 METAP2 (0.31) METAP2METAP1L3MBTL1
SCHEMBL18735343 0.80 L3MBTL1 (0.39) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735051 0.79 MGAM (0.40) METAP2METAP1L3MBTL1KMT2APOLB
SCHEMBL18735349 0.78 CYP1A2 (0.38) METAP2METAP1L3MBTL1KMT2APOLB

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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