SCHEMBL18735313

SCHEMBL18735313

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 0.34
▸ METAP1 P53582 6/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CAD P27708 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18735314 0.94 METAP2 (0.35) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735354 0.90 METAP2 (0.33) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735312 0.90 METAP2 (0.36) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735054 0.87 CYP2C9 (0.38) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735070 0.85 CYP1A2 (0.41) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735350 0.83 KMT2A (0.40) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735067 0.82 CYP1A2 (0.36) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18734942 0.81 METAP2 (0.30) METAP2METAP1
SCHEMBL18735322 0.80 METAP2 (0.34) METAP2METAP1CYP2C9CYP2C19CYP1A2
SCHEMBL18735330 0.80 CYP2C9 (0.36) METAP2METAP1CYP2C9CYP2C19CYP1A2

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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