SCHEMBL6876556

SCHEMBL6876556

O=C(OCc1ccccc1)C1C=CCCN1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 1/20 0.41
HTR2C P28335 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 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
SCHEMBL7052295 0.92 TSHR (0.45) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL19225929 0.85 EGLN1 (0.47) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL20418703 0.74 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL15251729 0.74 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL629930 0.74 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL10062407 0.73 TSHR (0.58) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL6259204 0.73 TSHR (0.58) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL4877662 0.73 TSHR (0.58) GLATSHRFABP7FABP5ALDH1A1
Hydrochloric Acid SCHEMBL7406170 0.73 TSHR (0.62) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL27821456 0.72 TSHR (0.48) TSHRFABP7FABP5ALDH1A1L3MBTL1

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-20040029237-A1 Process for preparing n-substituted 4-hydroxypiperidines by enzymatic hudroxylation EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2004-02-12 US disclosed
EP-1319085-A1 PROCESS FOR PREPARING N-SUBSTITUTED 4-HYDROXYPIPERIDINES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2003-06-18 EP disclosed
WO-2002022845-A1 PROCESS FOR PREPARING N-SUBSTITUTED 4-HYDROXYPIPERIDINES BY ENZYMATIC HYDROXYLATION Eidgenössische Technische Hochschule Zürich (CH) 2002-03-21 WO disclosed
EP-1188837-A1 Process for preparing N-substituted 4-hydroxypiperidines by enzymatic hydroxylation Eidgenössische Technische Hochschule Zürich (CH) 2002-03-20 EP disclosed