SCHEMBL18735332

SCHEMBL18735332

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ METAP2 P50579 8/20 0.32
▸ METAP1 P53582 6/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ FAAH O00519 2/20 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
SCHEMBL18735319 0.93 KMT2A (0.31) KMT2APOLBMETAP2METAP1L3MBTL1
SCHEMBL18735327 0.91 ACACB (0.30) KMT2APOLB
SCHEMBL18735334 0.86 METAP2 (0.34) METAP2METAP1FAAH
SCHEMBL18735073 0.86 GAA (0.40) KMT2APOLBL3MBTL1MAPTCYP2C9
SCHEMBL18735077 0.84 KMT2A (0.35) KMT2APOLBL3MBTL1CYP2C9CYP3A4
SCHEMBL18735321 0.84 METAP2 (0.33) METAP2METAP1
SCHEMBL18735066 0.82 KMT2A (0.34) KMT2APOLBL3MBTL1MAPTLMNA
SCHEMBL18735333 0.80 METAP2 (0.33) METAP2METAP1
SCHEMBL18735343 0.78 L3MBTL1 (0.39) KMT2APOLBMETAP2METAP1L3MBTL1
SCHEMBL18735328 0.77 METAP2 (0.32) METAP2METAP1

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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