SCHEMBL28858347

SCHEMBL28858347

CCCCC(N)(CO)C(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
TNNC1 P63316 5/20 0.34
S1PR1 P21453 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
SGPL1 O95470 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR2 O95136 1/20 0.34
CYP2D6 P10635 2/20 0.32
SMPD1 P17405 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL18676132 0.88 FDPS (0.43) FDPSS1PR1S1PR4S1PR3S1PR5
SCHEMBL4448029 0.79 FDPS (0.47) FDPSSMPD1SPHK1
Bromide SCHEMBL28893997 0.77 FDPS (0.45) FDPSSMPD1SPHK1
Hydrochloric Acid SCHEMBL5604440 0.77 FDPS (0.45) FDPSS1PR1SMPD1SPHK1
SCHEMBL1117562 0.77 TNNC1 (0.42) FDPSTNNC1S1PR1S1PR4S1PR3
SCHEMBL7752435 0.76 FDPS (0.41) FDPSCYP2D6SMPD1SPHK1GMNN
SCHEMBL11044166 0.75
SCHEMBL8998092 0.74 FDPS (0.40) FDPSTNNC1S1PR1S1PR4S1PR3
SCHEMBL3856250 0.73 FDPS (0.39) FDPSCYP2D6SMPD1SPHK1GMNN
SCHEMBL5191501 0.73 FDPS (0.39) FDPSCYP2D6SMPD1SPHK1GMNN

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-115155590-A Preparation method and application of catalyst suitable for preparing liquid hydrocarbon by carbon dioxide hydrogenation 南京工业大学 2022-10-11 CN disclosed