SCHEMBL18735319

SCHEMBL18735319

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ METAP2 P50579 3/20 0.31
▸ METAP1 P53582 3/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ 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
SCHEMBL18735332 0.93 KMT2A (0.32) KMT2APOLBMETAP2METAP1L3MBTL1
SCHEMBL18735327 0.90 ACACB (0.30) KMT2APOLB
SCHEMBL18735333 0.86 METAP2 (0.33) METAP2METAP1TSHR
SCHEMBL18735077 0.86 KMT2A (0.35) KMT2APOLBTSHRL3MBTL1
SCHEMBL18735073 0.85 GAA (0.40) KMT2APOLBL3MBTL1
SCHEMBL18735328 0.84 METAP2 (0.32) METAP2METAP1
SCHEMBL18734948 0.82 — —
SCHEMBL18735066 0.81 KMT2A (0.34) KMT2APOLBL3MBTL1
SCHEMBL18735334 0.80 METAP2 (0.34) METAP2METAP1
SCHEMBL18735371 0.78 L3MBTL1 (0.35) KMT2APOLBMETAP2METAP1L3MBTL1

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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