SCHEMBL28697286

SCHEMBL28697286

CC1(C(=O)O)CCC(C2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.62
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APLNR P35414 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
SCHEMBL14097857 0.91 FFAR3 (0.52) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL970790 0.86 FFAR3 (0.56) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL8052103 0.83 FFAR3 (0.43) FFAR3LMNAALDH1A1SLC1A2
SCHEMBL9042869 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL1468704 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL23458958 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL9042716 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL10203449 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL5949421 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19
SCHEMBL20255525 0.80 FFAR3 (0.62) FFAR3MAPK1LMNANPSR1CYP2C19

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-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed