SCHEMBL7125533

SCHEMBL7125533

[CH]=Cc1ccccc1CC=C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 3/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7911646 0.84 GABRA1 (0.45) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL30679 0.82 GABRA1 (0.47) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL3297831 0.82 GABRA1 (0.47) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL10339711 0.80 GABRA1 (0.45) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL10429393 0.80 GABRA1 (0.50) GABRA1GABRB2KMT2AMEN1ALDH1A1
Charcoal, Activated SCHEMBL9723291 0.80 GABRA1 (0.45) GABRA1GABRB2KMT2AMEN1ALDH1A1
Methane SCHEMBL28621463 0.80 GABRA1 (0.45) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL590015 0.78 MEN1 (0.50) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL2072423 0.78 GABRA1 (0.44) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL1003777 0.78 GABRA1 (0.44) GABRA1GABRB2KMT2AMEN1ALDH1A1

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
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
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
WO-1998039965-A1 UNSATURATED OXYALKYLENE ESTERS AND USES THEREOF BEACON LABORATORIES, INC. (US) 1998-09-17 WO disclosed