SCHEMBL7030404

SCHEMBL7030404

CC(C[CH]C(=O)N[C@H](C(=O)Nc1cccnc1)C(C)(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
FFAR2 O15552 1/20 0.43
FPR2 P25090 1/20 0.43
RAB9A P51151 5/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.41
NPC1 O15118 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL7024790 0.87 MMP2 (0.46) SMN1; SMN2FFAR2HTTKDM4ELMNA
SCHEMBL7020179 0.81 MMP2 (0.51) SMN1; SMN2FPR2RAB9AHTTALOX15
SCHEMBL7018857 0.80 MMP1 (0.54) FFAR2RAB9ANPC1LMNAALDH1A1
SCHEMBL7021767 0.80 MMP1 (0.54) FFAR2RAB9ANPC1LMNAALDH1A1
SCHEMBL7020279 0.76 HSPA5 (0.56) FFAR2KMT2AMEN1LMNAALDH1A1
SCHEMBL7344259 0.74 MEN1 (0.52) SMN1; SMN2RAB9AHTTNPC1KMT2A
SCHEMBL8670331 0.73 FPR2 (0.47) SMN1; SMN2FFAR2FPR2RAB9AHTT
SCHEMBL7868084 0.73 NAMPT (0.58) SMN1; SMN2FFAR2RAB9AHTTALOX15
SCHEMBL7868098 0.71 FFAR2 (0.56) SMN1; SMN2FFAR2RAB9AHTTALOX15
Hydrochloric Acid SCHEMBL7874804 0.70 FFAR2 (0.54) SMN1; SMN2FFAR2RAB9AHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US disclosed