SCHEMBL9550650

SCHEMBL9550650

CCCCCCCCCC[C@@](C)(OC(C)=O)[C@@H](C)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
PRKCA P17252 2/20 0.37
FAAH O00519 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
CES2 O00748 2/20 0.35
SMPD1 P17405 1/20 0.33
GGPS1 O95749 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL4620589 0.82 MAPT (0.37) LMNAMEN1MAPTKMT2AATM
Ammonia Solution, Strong SCHEMBL4620892 0.82 MAPT (0.37) LMNAMEN1MAPTKMT2AATM
SCHEMBL27654420 0.76 TSHR (0.41) LMNAFAAHMEN1MAPTKMT2A
SCHEMBL28788478 0.76 TSHR (0.41) LMNAFAAHMEN1MAPTKMT2A
SCHEMBL13040942 0.74 GAA (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL23135692 0.73 GAA (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14933766 0.73 GAA (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL573190 0.73 GAA (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL23046870 0.73 GAA (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL27941469 0.73 GAA (0.43) MEN1MAPTKMT2AATML3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5201925-A None JP disclosed
JP-H05201925-A SEPARATION USING ORGANIC ACID AND NOVEL ORGANIC ACID PHILIP MORRIS PROD INC 1993-08-10 JP disclosed