SCHEMBL11317809

SCHEMBL11317809

CCC(NC=CC=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.44
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
TXN P10599 1/20 0.32
TXNRD1 Q16881 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
F2RL1 P55085 11/20 0.31

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
SCHEMBL812140 0.72 FPR2 (0.69) FPR2MMP1MMP3MMP7ADRA2A
SCHEMBL3667338 0.72 FPR2 (0.48) FPR2MMP1MMP3MMP7TXN
SCHEMBL5709731 0.70 FPR2 (0.59) FPR2MMP1MMP3MMP7ADRA2A
SCHEMBL3258293 0.68 FPR2 (0.50) FPR2ADRA2AADRA2BADRA2CTAAR1
SCHEMBL811676 0.68 FPR2 (0.56) FPR2MMP1MMP3MMP7TXN
SCHEMBL25587473 0.68 FPR2 (0.56) FPR2MMP1MMP3MMP7
SCHEMBL9251413 0.67 FPR2 (0.52) FPR2MMP1MMP3MMP7ADRA2A
SCHEMBL1143025 0.67 FPR2 (0.55) FPR2MMP1MMP3MMP7ADRA2A
SCHEMBL2007449 0.67
SCHEMBL8305509 0.66 FPR2 (0.44) FPR2MMP1MMP3MMP7ADRA2A

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
US-4284718-A ADDITION POLYMERS AND A DISULFIDE COMPOUND AGFA-GEVAERT AG (DE) 1981-08-18 US disclosed