SCHEMBL6828971

SCHEMBL6828971

NCC(=O)Oc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TSHR P16473 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 3/20 0.49
GAA P10253 1/20 0.49
ESR2 Q92731 1/20 0.49
PTPN1 P18031 1/20 0.49
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
GRM1 Q13255 2/20 0.42
GRM2 Q14416 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 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
SCHEMBL28013462 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10MEN1CYP2C9
SCHEMBL28964153 0.87 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL14593482 0.83 HPGD (0.62) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL10814685 0.82 MAPT (0.38) ALDH1A1CA12CA1CA2TSHR
SCHEMBL25527300 0.81 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2TSHR
SCHEMBL7121659 0.77 KDM4E (0.69) ALDH1A1CA12CA1CA2TSHR
SCHEMBL11703507 0.77 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2TSHR
SCHEMBL25528412 0.77 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2TSHR
SCHEMBL7035557 0.77 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2TSHR
SCHEMBL10593035 0.77 POLB (0.40) ALDH1A1MAPTCYP3A4HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1488698-A1 Compositions for descreasing intracellular inositol trisphosphate concentration and uses thereof Bio-Ved Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
EP-0944309-A4 COMPOSITIONS FOR MODULATING INTRACELLULAR INOSITOL TRISPHOSPHATE CONCENTRATION AND USES THEREOF AYURCORE INC (US) 2002-11-06 EP disclosed
US-6083920-A TREATING NERVOUS SYSTEM DISORDERS BY ADMINISTERING LYSOCEREBROSIDE OR LYSOSPHINGOMYELIN AYURCORE, INC. (US) 2000-07-04 US disclosed
EP-0944309-A1 COMPOSITIONS FOR MODULATING INTRACELLULAR INOSITOL TRISPHOSPHATE CONCENTRATION AND USES THEREOF Ayurcore, Inc. (US) 1999-09-29 EP disclosed
EP-0750621-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1999-07-21 EP disclosed
EP-0882065-A2 NOVEL HUMAN METABOTROPIC GLUTAMATE RECEPTOR NPS PHARMACEUTICALS, INC. (US) 1998-12-09 EP disclosed
US-5783575-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-07-21 US disclosed
EP-0843660-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-27 EP disclosed
EP-0842176-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-05-20 EP disclosed
WO-1997048724-A2 HUMAN METABOTROPIC GLUTAMATE RECEPTOR NPS PHARMACEUTICALS, INC. (US) 1997-12-24 WO disclosed
US-5696148-A POTENT ANTAGONIST OF METABOTROPIC GLUTAMATE RECEPTORS; TREATING EPILEPSY, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, BRAIN DISORDER AND ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1997-12-09 US disclosed
WO-1997022251-A1 COMPOSITIONS FOR MODULATING INTRACELLULAR INOSITOL TRISPHOSPHATE CONCENTRATION AND USES THEREOF AYURCORE, INC. (US) 1997-06-26 WO disclosed
WO-1997005109-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed
WO-1997005137-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-02-13 WO disclosed
EP-0750621-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-01-02 EP disclosed
US-5536721-A Thieno[2,3-b-indole derivatives and their use for treating central nervous system diseases related to the metabotropic glutamate receptor system NOVO NORDISK A/S (DK) 1996-07-16 US disclosed
WO-1996015099-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1996015100-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1995025110-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-09-21 WO disclosed