SCHEMBL8420155

SCHEMBL8420155

O=C(O)C1C=CC=CC1(I)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
LMNA P02545 2/20 0.31
F2 P00734 1/20 0.31
AKR1C1 Q04828 1/20 0.31
HTT P42858 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL574722 0.77 HSD11B1 (0.36) HSD11B1LMNAAKR1C1HTTHDAC9
SCHEMBL27660328 0.76 HSD11B1 (0.35) HSD11B1LMNAAKR1C1HTTHDAC9
Hydrochloric Acid SCHEMBL28568646 0.76 HSD11B1 (0.35) HSD11B1LMNAAKR1C1HTTHDAC9
SCHEMBL9142790 0.76 HSD11B1 (0.35) HSD11B1LMNAAKR1C1HTTHDAC9
SCHEMBL20211715 0.73 HSD11B1 (0.36) HSD11B1
SCHEMBL6883947 0.72 LMNA (0.41) HSD11B1LMNAF2
SCHEMBL9245983 0.70 LMNA (0.34) HSD11B1LMNAAKR1C1HTTHDAC9
SCHEMBL28485724 0.70 HSD11B1 (0.34) HSD11B1LMNA
SCHEMBL11520353 0.70 GAA (0.36) HSD11B1HTT
SCHEMBL27648134 0.70

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 3 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
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