SCHEMBL6929927

SCHEMBL6929927

CC(OC(=O)/C=C/c1ccccc1)OC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.52
AKR1B1 P15121 4/20 0.52
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FAAH O00519 6/20 0.46
MMP1 P03956 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.45
MGLL Q99685 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL6926228 1.00 AKR1B10 (0.52) AKR1B10AKR1B1LMNAALDH1A1CYP1A2
SCHEMBL6923787 0.84 TSHR (0.56) AKR1B10AKR1B1LMNAALDH1A1CYP1A2
SCHEMBL7198204 0.84 TSHR (0.56) AKR1B10AKR1B1LMNAALDH1A1CYP1A2
SCHEMBL6924531 0.79 AKR1B10 (0.65) AKR1B10AKR1B1LMNAALDH1A1CYP1A2
SCHEMBL6924534 0.79 AKR1B10 (0.65) AKR1B10AKR1B1LMNAALDH1A1CYP1A2
SCHEMBL9139291 0.78 FAAH (0.50) LMNAMAPK1KMT2AFAAHPKM
SCHEMBL11800230 0.76 TSHR (0.64) LMNAMAPK1KMT2AFAAHPKM
SCHEMBL13807489 0.76 ALDH1A1 (0.51) AKR1B10AKR1B1LMNAALDH1A1MEN1
SCHEMBL29743339 0.76 FAAH (0.51) LMNAMAPK1KMT2AFAAHPKM
SCHEMBL9789627 0.76 AKR1B10 (0.50) AKR1B10AKR1B1LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939455-A Therapeutic augmentation of oxyalkylene diesters and butyric acid derivatives BEACON LABORATORIES, INC. (US) 1999-08-17 US 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