SCHEMBL8139705

SCHEMBL8139705

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C=Cc1ccccc1.CN([SiH](C)C)[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.38
PPARG P37231 5/20 0.38
MAPT P10636 2/20 0.35
CYP2C19 P33261 1/20 0.34
CTSK P43235 2/20 0.34
ATM Q13315 2/20 0.34
MMP13 P45452 2/20 0.34
CTSS P25774 1/20 0.34
ACE P12821 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
PPARD Q03181 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL6963624 0.87 PPARA (0.45) PPARAPPARGMAPTCYP2C19CTSK
SCHEMBL6963626 0.87 PPARA (0.45) PPARAPPARGMAPTCYP2C19CTSK
SCHEMBL8139704 0.85 PPARA (0.41) PPARAPPARGMAPTCYP2C19CTSK
SCHEMBL6954692 0.68 MMP3 (0.45) MAPTALDH1A1LMNAHSD17B10
SCHEMBL6954697 0.68 MMP3 (0.45) MAPTALDH1A1LMNAHSD17B10
SCHEMBL5568030 0.66 CA1 (0.40) PPARAPPARGMAPTCTSKCTSS
SCHEMBL6242134 0.66 CA1 (0.40) PPARAPPARGMAPTCTSKCTSS
SCHEMBL16096409 0.66 CA1 (0.40) PPARAPPARGMAPTCTSKCTSS
SCHEMBL9058208 0.66 PPARA (0.47) PPARAPPARGMAPTCTSKATM
SCHEMBL10980321 0.66 PPARA (0.47) PPARAPPARGMAPTCTSKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed