SCHEMBL8970179

SCHEMBL8970179

C=CCc1cc(CCC(=O)OCCOC)ccc1C#CC1(O)CN2CCC1CC2

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.85
MMP13 P45452 11/20 0.41
MMP2 P08253 7/20 0.41
MMP12 P39900 1/20 0.37

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
SCHEMBL8968715 0.92 FDFT1 (1.00) FDFT1MMP13MMP2
SCHEMBL27501580 0.92 FDFT1 (0.84) FDFT1MMP13MMP2MMP12
SCHEMBL27486671 0.89 FDFT1 (0.83) FDFT1MMP13MMP2
SCHEMBL8968895 0.88 FDFT1 (0.70) FDFT1MMP13MMP2
SCHEMBL8969555 0.87 FDFT1 (0.76) FDFT1MMP13MMP2MMP12
SCHEMBL8969557 0.86 FDFT1 (0.78) FDFT1MMP13MMP2
SCHEMBL27459364 0.86 FDFT1 (0.75) FDFT1MMP13MMP2
SCHEMBL8969377 0.85 FDFT1 (0.64) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8521280 0.85 FDFT1 (0.77) FDFT1MMP13MMP2
SCHEMBL27486672 0.85 FDFT1 (0.74) 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 claimed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP claimed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO claimed