SCHEMBL20034776

SCHEMBL20034776

CCCCCC(C)(C)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL20931040 0.88 MEN1 (0.31) FAAHMGLLKMT2A
SCHEMBL22957016 0.87 LMNA (0.30)
SCHEMBL23340953 0.86 FAAH (0.35) FAAHMGLLKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22005355 0.84 FAAH (0.34) FAAHMGLLKMT2ASMN1; SMN2ALDH1A1
SCHEMBL19991910 0.84 MGLL (0.37) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL18501122 0.83 MGLL (0.36) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL18392597 0.83 MGLL (0.36) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL24049292 0.80 FAAH (0.33) FAAHMGLLKMT2ASMN1; SMN2
SCHEMBL18392549 0.79 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL23153542 0.77 FAAH (0.31) FAAHMGLL

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
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed