SCHEMBL18735341

SCHEMBL18735341

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ METAP2 P50579 1/20 0.32
▸ METAP1 P53582 1/20 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
SCHEMBL18735339 0.93 CYP1A2 (0.32) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18735363 0.90 METAP2 (0.32) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18734970 0.86 MGAM (0.33) GAAMGAMSIMGAM2CYP1A2
SCHEMBL18735072 0.86 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18735369 0.85 METAP2 (0.36) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18735340 0.83 METAP2 (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18735056 0.80 KMT2A (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL18735367 0.79 METAP2 (0.36) CYP1A2CYP2C9CYP2C19HTTMETAP2
SCHEMBL18735355 0.78 METAP2 (0.32) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18735317 0.77 METAP2 (0.32) KMT2APOLBMETAP2METAP1

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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