SCHEMBL8970015

SCHEMBL8970015

O=C(Oc1ccccc1)c1ccccc1C#CC1(O)CN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.52
MMP2 P08253 3/20 0.48
FDFT1 P37268 2/20 0.44
MMP12 P39900 1/20 0.42

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
SCHEMBL8969943 0.82 MMP13 (0.47) MMP13MMP2FDFT1
SCHEMBL3259548 0.74 MMP13 (0.63) MMP13MMP2FDFT1MMP12
SCHEMBL8931446 0.70 MMP13 (0.61) MMP13MMP2FDFT1
SCHEMBL8968717 0.69 MMP13 (0.42) MMP13MMP2FDFT1
SCHEMBL8772700 0.69 MMP13 (0.86) MMP13MMP2FDFT1MMP12
SCHEMBL8971168 0.68 MMP13 (0.50) MMP13MMP2FDFT1
SCHEMBL8419865 0.67 HSD17B10 (0.39)
SCHEMBL733385 0.66 HSD17B10 (0.59)
SCHEMBL4357259 0.65 HSD17B10 (0.58)
SCHEMBL1255394 0.65 HSD17B10 (0.58)

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