SCHEMBL30852968

SCHEMBL30852968

CC(C)C[C@@H](OC(F)F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.44
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
FOLH1 Q04609 6/20 0.40
CACNA2D1 P54289 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CPA1 P15085 1/20 0.34

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
SCHEMBL26940451 0.82 LAP3 (0.47) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL26510079 0.79 BLM (0.47) LAP3FOLH1SLC1A3SLC1A2LMNA
SCHEMBL25698087 0.79 BLM (0.47) LAP3FOLH1SLC1A3SLC1A2LMNA
SCHEMBL9275334 0.77 LAP3 (0.52) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL1136238 0.77 LAP3 (0.52) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL11789757 0.77 LAP3 (0.52) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL15389954 0.77 SMN1; SMN2 (0.39) ADRA1ASLC1A3SLC1A2
Hydrochloric Acid SCHEMBL11385922 0.76 LAP3 (0.50) LAP3RNPEPSLC7A5FOLH1CACNA2D1
Hydrochloric Acid SCHEMBL10486450 0.76 LAP3 (0.50) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL12141288 0.75 TSHR (0.46) LAP3RNPEPSLC7A5FOLH1CACNA2D1

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-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN disclosed