SCHEMBL6418392

SCHEMBL6418392

CCOCC(O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TET2 Q6N021 3/20 0.41

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
SCHEMBL28038601 0.87 TET2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7605161 0.78 SLC22A6 (0.52) TSHRFFAR3GPR84
SCHEMBL4326835 0.77 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C19TSHRMEN1
SCHEMBL15654713 0.77 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19KDM2ATSHR
Acetic Acid SCHEMBL4212999 0.76 GPR84 (0.44) CYP1A2CYP3A4CYP2C19FFAR4FFAR1
SCHEMBL3503355 0.75 USP2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29429 0.75
SCHEMBL4748796 0.75
SCHEMBL437065 0.75
SCHEMBL4287127 0.75

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-20160024327-A1 DISPERSED COMPOSITION, COATING COMPOSITION, COATING FILM, AND COLORED ITEM TOYO INK HOLDINGS CO., LTD. (JP) 2016-01-28 US disclosed
US-20050107501-A1 Compound resin molding and process for producing the same SUZUKA FUJI XEROX CO., LTD. (JP) 2005-05-19 US disclosed
EP-1466723-A1 COMPOSITE RESIN MOLDING AND PROCESS FOR PRODUCING THE SAME Suzuka Fuji Xerox Co., Ltd. (JP) 2004-10-13 EP disclosed
US-5728685-A SELECTIN RECEPTORS FOR INFLAMMATION MODULATORS GLYCOMED INCORPORATED (US) 1998-03-17 US disclosed
EP-0743951-A4 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INC (US) 1997-03-19 EP disclosed
US-5591835-A BIND TO RECEPTORS AND MODULATE INFLAMMATION, CANCER, AND RELATED DISEASES BY MODULATING CELL-CELL ADHESION EVENTS GLYCOMED INCORPORATED (US) 1997-01-07 US disclosed
EP-0743951-A1 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INCORPORATED (US) 1996-11-27 EP disclosed
WO-1995021180-A1 SUBSTITUTED LACTOSE DERIVATIVES AS CELL ADHESION INHIBITORS GLYCOMED INCORPORATED (US) 1995-08-10 WO disclosed