SCHEMBL8968610

SCHEMBL8968610

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.59
MMP13 P45452 10/20 0.37
MMP2 P08253 4/20 0.37
MMP12 P39900 1/20 0.35

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
SCHEMBL8772671 0.79 FDFT1 (0.65) FDFT1MMP13MMP2MMP12
SCHEMBL8969346 0.79 FDFT1 (0.65) FDFT1MMP13MMP2
SCHEMBL8969625 0.78 FDFT1 (0.67) FDFT1MMP13MMP2
SCHEMBL8968455 0.78 FDFT1 (0.71) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8969497 0.77 FDFT1 (0.61) FDFT1MMP13MMP2
SCHEMBL8772804 0.77 FDFT1 (0.73) FDFT1MMP13MMP2MMP12
Hydrochloric Acid SCHEMBL8969490 0.77 FDFT1 (0.61) FDFT1MMP13MMP2
SCHEMBL8972066 0.77 FDFT1 (0.70) FDFT1MMP13MMP2
SCHEMBL27435425 0.77 FDFT1 (0.70) FDFT1MMP13MMP2MMP12
SCHEMBL8968803 0.77 FDFT1 (0.65) FDFT1MMP13MMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed