SCHEMBL18735355

SCHEMBL18735355

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ 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
▸ L3MBTL1 Q9Y468 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
SCHEMBL18735317 0.93 METAP2 (0.32) METAP2METAP1KMT2APOLB
SCHEMBL18735318 0.90 METAP2 (0.32) METAP2METAP1
SCHEMBL18735072 0.86 GAA (0.39) METAP2METAP1KMT2APOLBCYP1A2
SCHEMBL18735323 0.85 METAP2 (0.36) METAP2METAP1
SCHEMBL18735056 0.85 KMT2A (0.35) METAP2METAP1KMT2APOLBCYP1A2
SCHEMBL18735360 0.83 METAP2 (0.35) METAP2METAP1
SCHEMBL18735055 0.82 KMT2A (0.33) METAP2METAP1KMT2APOLBCYP1A2
SCHEMBL18735315 0.79 METAP2 (0.36) METAP2METAP1
SCHEMBL18735341 0.78 GAA (0.37) METAP2METAP1KMT2APOLBCYP1A2
SCHEMBL18735339 0.77 CYP1A2 (0.32) METAP2METAP1KMT2APOLBCYP1A2

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
Send feedback