SCHEMBL9517164

SCHEMBL9517164

CCOC(=O)C1CC=CCC1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
LMNA P02545 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9517864 1.00 KCNH2 (0.52) KCNH2LMNAGAAMAPTPKM
SCHEMBL9517159 1.00 KCNH2 (0.52) KCNH2LMNAGAAMAPTPKM
SCHEMBL9517277 0.85 HTR3E (0.51) KCNH2MAPT
SCHEMBL9517282 0.85 HTR3E (0.51) KCNH2MAPT
SCHEMBL9517275 0.85 HTR3E (0.51) KCNH2MAPT
SCHEMBL28277997 0.81 KCNH2 (0.55) KCNH2MAPTPKM
SCHEMBL28278031 0.81 KCNH2 (0.55) KCNH2MAPTPKM
SCHEMBL9517909 0.81 POLB (0.49) LMNAGAASMN1; SMN2TSHR
SCHEMBL9518832 0.81 POLB (0.49) LMNAGAASMN1; SMN2TSHR
SCHEMBL9592504 0.81 POLB (0.49) LMNAGAASMN1; SMN2TSHR

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-5216141-A OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES BENNER, STEVEN 1993-06-01 US disclosed
EP-0418309-A4 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR 1993-01-07 EP disclosed
EP-0418309-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER, Steven Albert (CH) 1991-03-27 EP disclosed
WO-1989012060-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER STEVEN ALBERT (CH) 1989-12-14 WO disclosed