SCHEMBL709809

SCHEMBL709809

C[C@]1(C(=O)O)CCC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.46
CYP2C19 P33261 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 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
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 3/20 0.35
APLNR P35414 1/20 0.32
F10 P00742 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
SCHEMBL11076963 1.00 FFAR3 (0.46) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL636604 0.87 FFAR3 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL13556690 0.87 FFAR3 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL5806204 0.79 CYP1A2 (0.52) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL18306290 0.79 CYP1A2 (0.52) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL18069837 0.79 CYP1A2 (0.52) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL11080010 0.79 NPSR1 (0.36) MAPK1TP53SMN1; SMN2NPSR1MEN1
SCHEMBL6915234 0.78 CYP1A2 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL6917387 0.78 CYP1A2 (0.50) FFAR3CYP2C19MAPK1LMNAMTOR
SCHEMBL652966 0.78 GRM4 (0.46) FFAR3CYP2C19LMNAMTORSMN1; SMN2

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-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed