SCHEMBL8969801

SCHEMBL8969801

CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(COc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.74
MMP13 P45452 10/20 0.49
MMP2 P08253 6/20 0.44

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
SCHEMBL8969501 0.88 FDFT1 (0.81) FDFT1MMP13MMP2
SCHEMBL8969796 0.83 FDFT1 (0.51) FDFT1MMP13MMP2
SCHEMBL8421721 0.82 FDFT1 (0.74) FDFT1MMP13MMP2
SCHEMBL8968548 0.80 FDFT1 (0.68) FDFT1MMP13MMP2
SCHEMBL6376914 0.80 FDFT1 (0.61) FDFT1MMP13MMP2
SCHEMBL9263727 0.78 FDFT1 (0.74) FDFT1MMP13MMP2
SCHEMBL8970179 0.77 FDFT1 (0.85) FDFT1MMP13MMP2
SCHEMBL27486671 0.76 FDFT1 (0.83) FDFT1MMP13MMP2
SCHEMBL27501580 0.76 FDFT1 (0.84) FDFT1MMP13MMP2
SCHEMBL8421885 0.76 FDFT1 (0.43) FDFT1

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