SCHEMBL4788541

SCHEMBL4788541

CC(C)(NS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1c[nH]nn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.48
PROKR1 Q8TCW9 5/20 0.48
MMP13 P45452 5/20 0.47
MMP2 P08253 4/20 0.47
MMP12 P39900 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
NAAA Q02083 1/20 0.39
TEAD1 P28347 1/20 0.39
LIPE Q05469 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL4752287 0.88 FPR2 (0.48) FPR2PROKR1MMP13MMP12MAPT
SCHEMBL4753890 0.83 FPR2 (0.51) FPR2PROKR1
SCHEMBL8777604 0.82 FPR2 (0.48) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL6096681 0.73 FPR2 (0.61) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL5020188 0.70 MMP13 (0.47) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL29716504 0.70 SMN1; SMN2 (0.61) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL8124348 0.70 MMP13 (0.47) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL5020187 0.69 FPR2 (0.49) FPR2PROKR1MMP13MMP12MAPT
SCHEMBL7398293 0.68 MMP13 (0.55) FPR2PROKR1MMP13MMP2MMP12
SCHEMBL6098249 0.67 FPR2 (0.56) FPR2PROKR1MMP13MMP2MMP12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO claimed
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO disclosed
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO disclosed