SCHEMBL8230299

SCHEMBL8230299

Cc1c(C(=O)CCCN2CCOCC2)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.77
ADAMTS4 O75173 2/20 0.77
MMP3 P08254 2/20 0.77
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
CCR4 P51679 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
TTK P33981 2/20 0.33
PTGES O14684 1/20 0.33
P2RX7 Q99572 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 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
SCHEMBL10167938 0.90 MMP13 (0.76) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161880 0.87 MMP13 (0.90) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8255038 0.87 MMP13 (1.00) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10210491 0.86 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161938 0.86 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162001 0.85 MMP13 (0.86) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10211461 0.85 MMP13 (0.83) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10210611 0.85 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161130 0.85 MMP13 (0.85) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161927 0.85 MMP13 (0.85) MMP13ADAMTS4MMP3MMP8MMP12

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed