SCHEMBL9542954

SCHEMBL9542954

CCOC(=O)C1CCC(=O)N1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 6/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36

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
SCHEMBL9382993 1.00 ADRA1A (0.46) ADRA1AADRA1DADRA1BKMT2AP2RX7
SCHEMBL2575919 0.86 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL2575921 0.86 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL11949260 0.86 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL8535575 0.80 KMT2A (0.55) ADRA1AKMT2AP2RX7USP2ALDH1A1
SCHEMBL5166634 0.80 KMT2A (0.55) ADRA1AKMT2AP2RX7USP2ALDH1A1
SCHEMBL20334501 0.80 ADRA1A (0.48) ADRA1AADRA1DADRA1BKMT2AUSP2
SCHEMBL28637480 0.79 ADRA1A (0.40) ADRA1AADRA1DADRA1BKMT2AP2RX7
SCHEMBL13331904 0.79 ALDH1A1 (0.48) ADRA1AADRA1DADRA1BKMT2AUSP2
SCHEMBL6694973 0.79 ACE (0.44) KMT2AP2RX7ALDH1A1

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
WO-1993009120-A1 PROCESS FOR THE PREPARATION OF CONDENSED IMIDAZOLES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-05-13 WO disclosed