SCHEMBL28316613

SCHEMBL28316613

CC(C)(C)CCC(=O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LDHA P00338 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL179561 0.78
SCHEMBL25670656 0.76 CES1 (0.46)
Hydrochloric Acid SCHEMBL28368426 0.76 LMNA (0.32) FAAHLMNAHSD17B10MEN1BLM
Hydrochloric Acid SCHEMBL29184596 0.76 LMNA (0.32) FAAHLMNAHSD17B10MEN1BLM
SCHEMBL8420717 0.76 OR51E2 (0.46)
SCHEMBL17183635 0.75 TDP1 (0.38)
SCHEMBL8873751 0.74 OR51E2 (0.43)
SCHEMBL1462669 0.74 CES2 (0.63)
SCHEMBL8873753 0.74 CA4 (0.36) MEN1LDHABLMKMT2A
SCHEMBL17664603 0.72 BLM (0.33) FAAHLMNAMEN1LDHABLM

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed