SCHEMBL7748909

SCHEMBL7748909

CCCC(=O)OC(C(=O)O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TBXAS1 P24557 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KCNA5 P22460 5/20 0.40
PDE4D Q08499 1/20 0.40
KCNN4 O15554 1/20 0.40
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL9652762 0.83 CYP17A1 (0.52) LMNAALDH1A1HTTTBXAS1SMN1; SMN2
SCHEMBL29290709 0.83 CYP17A1 (0.52) LMNAALDH1A1HTTTBXAS1SMN1; SMN2
SCHEMBL28483924 0.82 TBXAS1 (0.44) LMNAALDH1A1HTTTBXAS1SMN1; SMN2
SCHEMBL29852317 0.80 SMN1; SMN2 (0.50) LMNAMAPK1ALDH1A1HTTTBXAS1
SCHEMBL28134029 0.80 SMN1; SMN2 (0.50) LMNAMAPK1ALDH1A1HTTTBXAS1
SCHEMBL2410844 0.77 SMN1; SMN2 (0.49) LMNAMAPK1ALDH1A1HTTTBXAS1
SCHEMBL31445960 0.77 SMN1; SMN2 (0.49) LMNAMAPK1ALDH1A1HTTTBXAS1
SCHEMBL23397628 0.72 LMNA (0.51) LMNAMAPK1ALDH1A1
SCHEMBL18206788 0.72 LMNA (0.51) LMNAMAPK1ALDH1A1
SCHEMBL11239802 0.72 LMNA (0.46) LMNAALDH1A1HTTTBXAS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973389-A4 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2001-01-24 EP claimed
EP-0973389-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2000-01-26 EP claimed
US-5939455-A Therapeutic augmentation of oxyalkylene diesters and butyric acid derivatives BEACON LABORATORIES, INC. (US) 1999-08-17 US claimed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO claimed
WO-1998039966-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-09-17 WO claimed
EP-0973389-A4 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2001-01-24 EP disclosed
US-6110970-A FOR TREATING OR PREVENTING OR AMELIORATING CANCER AND OTHER PROLIFERATIVE DISEASES AS WELL AS FOR INDUCING WOUND HEALING, TREATING CUTANEOUS ULCERS, TREATING GASTROINTESTINAL DISORDERS, TREATING BLOOD DISORDERS SUCH AS ANEMIAS BEACON LABORATORIES, INC. (US) 2000-08-29 US disclosed
EP-0973389-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2000-01-26 EP disclosed
US-5939455-A Therapeutic augmentation of oxyalkylene diesters and butyric acid derivatives BEACON LABORATORIES, INC. (US) 1999-08-17 US disclosed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO disclosed
WO-1998039966-A1 NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-09-17 WO disclosed