SCHEMBL6923787

SCHEMBL6923787

CC(OC(=O)C=Cc1ccccc1)OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.52
AKR1B10 O60218 4/20 0.50
AKR1B1 P15121 4/20 0.50
MMP1 P03956 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7198204 1.00 TSHR (0.56) TSHRLMNAAKR1B10AKR1B1MMP1
SCHEMBL6926228 0.84 AKR1B10 (0.52) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL6929927 0.84 AKR1B10 (0.52) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL433353 0.81 TSHR (0.61) TSHRAKR1B1ALDH1A1MAPK1L3MBTL1
SCHEMBL9789627 0.80 AKR1B10 (0.50) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL9789630 0.80 AKR1B10 (0.50) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL28996735 0.79 AKR1B10 (0.53) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL31344422 0.79 LMNA (0.61) LMNAAKR1B10AKR1B1MMP1KMT2A
SCHEMBL13807489 0.77 ALDH1A1 (0.51) LMNAAKR1B10AKR1B1MMP1KMT2A
Isopropyl Cinnamate SCHEMBL133104 0.77 AKR1B10 (0.72) LMNAAKR1B10AKR1B1MMP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973388-A4 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF BEACON LAB INC (US) 2003-03-19 EP claimed
EP-0973388-A1 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF Beacon Laboratories, Inc. (US) 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-1998039965-A1 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF BEACON LABORATORIES, INC. (US) 1998-09-17 WO claimed
US-6599937-B1 For modulating gene expression in a hematopoietic cell BEACON LABORATORIES, INC. 2003-07-29 US disclosed
EP-0973388-A4 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF BEACON LAB INC (US) 2003-03-19 EP disclosed
US-6124495-A TREATING, PREVENTING OR AMELIORATING CANCER OR OTHER PROLIFERATIVE DISORDER; INCREASING HEMOGLOBIN CONTENT IN BLOOD; MODULATING AN IMMUNE RESPONSE; AMELIORATING THE EFFECTS OF A CYTOTOXIC AGENT; TREATING GASTROINTESTINAL DISORDERS BEACON LABORATORIES, INC. (US) 2000-09-26 US disclosed
EP-0973388-A1 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF Beacon Laboratories, Inc. (US) 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-1998039965-A1 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF BEACON LABORATORIES, INC. (US) 1998-09-17 WO disclosed