SCHEMBL6818944

SCHEMBL6818944

CCC(c1ccc(OC)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MITF O75030 1/20 0.46
EPHX2 P34913 1/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM4 P08173 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM5 P08912 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13785322 0.85 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10359511 0.85 ALDH1A1 (0.51) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL6710551 0.83 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10360001 0.83 HRH3 (0.48) MEN1KMT2AMITFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30838758 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21753666 0.79 ESR1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10660524 0.79 LTA4H (0.47) LMNAMAPT
SCHEMBL25620291 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2465315 0.79 PKM (0.62) SLC6A2SLC6A3MEN1KMT2ACHRM2
SCHEMBL20970365 0.78 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed
EP-0394419-B1 MATRIX LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-09-21 EP disclosed
EP-0445274-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
EP-0394419-A1 MATRIX LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
WO-1990004623-A1 MATRIX LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed