SCHEMBL8565534

SCHEMBL8565534

C=CCc1cc(CCC(=O)OCC)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.66
L3MBTL1 Q9Y468 4/20 0.38
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8420308 0.99 FDFT1 (0.65) FDFT1L3MBTL1MAPK1HRH3LMNA
SCHEMBL8772635 0.84 FDFT1 (0.46) FDFT1L3MBTL1MAPK1LMNAALDH1A1
SCHEMBL8772603 0.83 FDFT1 (0.45) FDFT1L3MBTL1MAPK1LMNAALDH1A1
Hydrochloric Acid SCHEMBL8772602 0.81 FDFT1 (0.42) FDFT1L3MBTL1LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8421585 0.81 FDFT1 (0.41) FDFT1GABRA1GABRB2KMT2AKDM4E
SCHEMBL8423284 0.81 FDFT1 (0.41) FDFT1MAPK1ALDH1A1GABRA1GABRB2
SCHEMBL8968715 0.79 FDFT1 (1.00) FDFT1
SCHEMBL9150829 0.79 FDFT1 (0.41) FDFT1MAPK1ALDH1A1GABRA1GABRB2
SCHEMBL8422017 0.78 FDFT1 (0.39) FDFT1L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL8772588 0.78 PTGDR (0.39) FDFT1LMNAALDH1A1KMT2AMEN1

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
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