SCHEMBL9536247

SCHEMBL9536247

CC(N)(CC(=O)O)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
TSHR P16473 3/20 0.52
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 1/20 0.52
FFAR1 O14842 1/20 0.46
CPT2 P23786 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.41
FFAR3 O14843 1/20 0.37
GLRA1 P23415 1/20 0.37
SLC6A9 P48067 1/20 0.37
OR51E2 Q9H255 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL289136 0.86
SCHEMBL21690012 0.86
SCHEMBL5324328 0.86
SCHEMBL7341356 0.86
SCHEMBL5323906 0.86
SCHEMBL25295848 0.86
SCHEMBL10723687 0.84 KDM4E (0.56) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL8532783 0.84
SCHEMBL6061318 0.82 ALDH1A1 (0.48) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9519196 0.82 S1PR4 (0.45) HMGCRCHRM1TBXA2RADRA1ATSHR

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
EP-0178106-B1 ENZYMATIC PROCESS NOVO NORDISK A/S (DK) 1993-03-31 EP disclosed