SCHEMBL18735190

SCHEMBL18735190

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ METAP1 P53582 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
SCHEMBL18735145 0.91 MGAM (0.32) MGAMGAASIMGAM2
SCHEMBL18735144 0.90 — —
SCHEMBL18734940 0.88 METAP2 (0.31) METAP2METAP1
SCHEMBL18735160 0.88 LMNA (0.31) —
SCHEMBL18735195 0.86 GAA (0.34) MGAMGAASIMGAM2CYP1A2
SCHEMBL18735074 0.86 GAA (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL18734932 0.83 — —
SCHEMBL18734943 0.81 — —
SCHEMBL18735189 0.81 HSD17B10 (0.31) —
SCHEMBL18735058 0.80 METAP2 (0.34) MGAMGAASIMGAM2CYP1A2

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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