SCHEMBL18735314

SCHEMBL18735314

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 0.35
▸ METAP1 P53582 6/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CAD P27708 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18735313 0.94 METAP2 (0.34) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735354 0.91 METAP2 (0.33) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18734942 0.87 METAP2 (0.30) METAP2METAP1
SCHEMBL18735070 0.86 CYP1A2 (0.41) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735054 0.85 CYP2C9 (0.38) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735067 0.83 CYP1A2 (0.36) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735312 0.83 METAP2 (0.36) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735325 0.82 KMT2A (0.41) METAP2METAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18735389 0.81 — —
SCHEMBL18735322 0.81 METAP2 (0.34) METAP2METAP1CYP1A2CYP2C9CYP2C19

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