SCHEMBL18735399

SCHEMBL18735399

CCC(=O)N[C@@H](CSC(=O)CC(=O)SC[C@H](NC(=O)CC)C(=O)N(CC)CC)C(=O)N(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18735109 1.00 CYP2C9 (0.34) CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL18735396 0.92 SMN1; SMN2 (0.33) CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL18735395 0.92 SMN1; SMN2 (0.33) CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL17164978 0.92 CYP2C9 (0.33) CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL18735186 0.90 CYP2C9 (0.30) CYP2C9
SCHEMBL18735142 0.87 KMT2A (0.39) CYP2C9KMT2A
SCHEMBL18734934 0.87 — —
SCHEMBL18735180 0.86 ALOX15 (0.32) —
SCHEMBL18734935 0.85 KMT2A (0.32) KMT2A
SCHEMBL18734926 0.84 ALOX15 (0.31) —

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