SCHEMBL18735173

SCHEMBL18735173

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

nearest known ligand 0.33

Predicted protein targets (top 12)

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
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CCKBR P32239 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
SCHEMBL18735152 0.90 — —
SCHEMBL18735159 0.90 MGAM (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL18734942 0.88 METAP2 (0.30) —
SCHEMBL18734956 0.88 MGAM (0.32) MGAMGAASIMGAM2
SCHEMBL18735171 0.88 ALOX15 (0.33) —
SCHEMBL18735070 0.86 CYP1A2 (0.41) MGAMGAASIMGAM2KMT2A
SCHEMBL18735142 0.84 KMT2A (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL18734931 0.83 — —
SCHEMBL18734927 0.81 ALOX15 (0.32) —
SCHEMBL18735054 0.80 CYP2C9 (0.38) KMT2APOLBCYP1A2CYP2C9CYP2C19

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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