SCHEMBL8772603

SCHEMBL8772603

B.C=CCc1cc(C(=O)OCC)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.45
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OPRD1 P41143 1/20 0.36

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
SCHEMBL8772635 0.99 FDFT1 (0.46) FDFT1MMP13L3MBTL1MAPK1ALDH1A1
SCHEMBL8772588 0.88 PTGDR (0.39) FDFT1MMP13ALDH1A1LMNAKMT2A
SCHEMBL8772687 0.88 FDFT1 (0.37) FDFT1L3MBTL1MAPK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8772602 0.88 FDFT1 (0.42) FDFT1L3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL8772637 0.87 FDFT1 (0.38) FDFT1L3MBTL1MAPK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8772650 0.86 FDFT1 (0.37) FDFT1L3MBTL1MAPK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8772550 0.86 MMP13 (0.45) FDFT1MMP13MAPK1ALDH1A1LMNA
SCHEMBL8420308 0.84 FDFT1 (0.65) FDFT1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL8772672 0.82 MMP13 (0.44) FDFT1MMP13MAPK1ALDH1A1LMNA
SCHEMBL8592554 0.82 MMP13 (0.44) FDFT1MMP13MAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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