SCHEMBL8772637

SCHEMBL8772637

C=CCc1cc(C(=O)OC(C)C)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL8772687 0.99 FDFT1 (0.37) FDFT1KDM4EELANEALDH1A1MAPT
Hydrochloric Acid SCHEMBL8772650 0.99 FDFT1 (0.37) FDFT1KDM4EELANEALDH1A1MAPT
SCHEMBL8772635 0.88 FDFT1 (0.46) FDFT1ALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL8772602 0.88 FDFT1 (0.42) FDFT1ELANEALDH1A1MAPTPKM
SCHEMBL8772603 0.87 FDFT1 (0.45) FDFT1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL8772588 0.86 PTGDR (0.39) FDFT1KDM4EELANEALDH1A1MAPT
SCHEMBL8772751 0.80 FDFT1 (0.37) FDFT1ALDH1A1MAPTHTTKMT2A
SCHEMBL8772748 0.80 FDFT1 (0.37) FDFT1ALDH1A1MAPTHTTKMT2A
SCHEMBL8772594 0.79 FDFT1 (0.39) FDFT1KDM4EALDH1A1MAPTMEN1
SCHEMBL8422017 0.79 FDFT1 (0.39) FDFT1KDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US claimed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP claimed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP claimed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO claimed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed