SCHEMBL10696546

SCHEMBL10696546

CC(CC=O)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.38
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TXN P10599 1/20 0.34
TXNRD1 Q16881 1/20 0.34
F2RL1 P55085 4/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL14719302 0.81 ADRA2A (0.36) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL5990737 0.79
SCHEMBL4451980 0.78 FPR2 (0.36) FPR2F2RL1
SCHEMBL1118032 0.77 FPR2 (0.34) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL3167804 0.76
SCHEMBL28391810 0.76
SCHEMBL13066227 0.76
SCHEMBL515343 0.75
SCHEMBL873904 0.75
SCHEMBL9460139 0.75

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-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed