SCHEMBL8968636

SCHEMBL8968636

CCOC(=O)C=Cc1ccc(C#CC2(O)CN3CCC2CC3)c(OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.54
MMP13 P45452 7/20 0.49
FDPS P14324 1/20 0.44
MAOB P27338 1/20 0.43
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
MMP2 P08253 2/20 0.40

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
SCHEMBL8968632 1.00 FDFT1 (0.54) FDFT1MMP13FDPSMAOBACHE
SCHEMBL6377379 0.75 FDFT1 (0.59) FDFT1MMP13MMP2
SCHEMBL8419731 0.74 FDPS (0.44) FDPSMAOBACHEBCHETTR
SCHEMBL8421721 0.72 FDFT1 (0.74) FDFT1MMP13MMP2
SCHEMBL9432346 0.72 FDFT1 (0.73) FDFT1MMP13MMP2
SCHEMBL8772583 0.71 MMP13 (0.63) FDFT1MMP13MMP2
SCHEMBL9432198 0.71 FDFT1 (0.76) FDFT1MMP13MMP2
SCHEMBL5335178 0.70 FDPS (0.75) FDPSMAOBACHEBCHETTR
SCHEMBL5335182 0.70 FDPS (0.75) FDPSMAOBACHEBCHETTR
SCHEMBL8968958 0.70 MMP13 (0.59) FDFT1MMP13MMP2

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
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed