SCHEMBL8422017

SCHEMBL8422017

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 5/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8772588 0.85 PTGDR (0.39) FDFT1KDM4EALDH1A1PTGDRPTGDR2
SCHEMBL8423284 0.84 FDFT1 (0.41) FDFT1KDM4EALDH1A1PTGDRPTGDR2
SCHEMBL8772553 0.83 MEN1 (0.39) FDFT1KDM4EALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL8772602 0.82 FDFT1 (0.42) FDFT1ALDH1A1PTGDRPTGDR2MAPT
Hydrochloric Acid SCHEMBL8421585 0.82 FDFT1 (0.41) FDFT1KDM4EPTGDRPTGDR2CHRM2
SCHEMBL8421714 0.82 MAPT (0.42) FDFT1KDM4EALDH1A1MAPTTDP1
SCHEMBL8772595 0.81 FDFT1 (0.38) FDFT1KDM4EALDH1A1MAPTTDP1
SCHEMBL8772704 0.81 FDFT1 (0.37) FDFT1PTGDRPTGDR2CHRM2CHRM4
SCHEMBL8772725 0.81 ALDH1A1 (0.46) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8421904 0.81 MAPT (0.42) FDFT1KDM4EALDH1A1MAPTTDP1

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