SCHEMBL7410116

SCHEMBL7410116

CC(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 7/20 0.51
HSPA9 P38646 3/20 0.43
LMNA P02545 4/20 0.41
XBP1 P17861 1/20 0.41
TSHR P16473 1/20 0.41
HSPA2 P54652 2/20 0.40
FFAR2 O15552 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSPA8 P11142 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
SCHEMBL8777263 0.85 HSPA5 (0.46) HSPA5HSPA9LMNAXBP1TSHR
SCHEMBL7378206 0.82 FFAR2 (0.43) FFAR2ALDH1A1MEN1KMT2A
SCHEMBL7402956 0.81 POLB (0.45) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL7370348 0.81 MMP2 (0.46) LMNATSHRFFAR2
SCHEMBL7367564 0.80 FFAR2 (0.39) HSPA5HSPA2FFAR2ALDH1A1MEN1
SCHEMBL7373809 0.80 MMP1 (0.56) LMNAFFAR2ALDH1A1
SCHEMBL7410121 0.78 MMP2 (0.47) LMNA
SCHEMBL7371393 0.77 RAB9A (0.43) FFAR2ALDH1A1MEN1KMT2A
SCHEMBL7513209 0.77 MMP1 (0.44)
SCHEMBL6435917 0.77 POLB (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed