SCHEMBL8765631

SCHEMBL8765631

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.61
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL8765626 1.00 HCAR2 (0.61) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL8765623 0.92 HCAR2 (0.46) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL17885767 0.79 HCAR2 (0.37) HCAR2ALDH1A1TSHR
SCHEMBL2469635 0.78 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL2469636 0.78 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL10917789 0.78 HCAR2 (0.63) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL17885765 0.77 HCAR2 (0.35) HCAR2ALDH1A1TSHR
Isopropyl Fumarate SCHEMBL690596 0.76 HCAR2 (1.00) HCAR2GABRPGABRDGABRA1GABRB1
Isopropyl Fumarate SCHEMBL313613 0.76 HCAR2 (1.00) HCAR2GABRPGABRDGABRA1GABRB1
Isopropyl Fumarate SCHEMBL313612 0.76 HCAR2 (1.00) HCAR2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
US-5554695-A Styrenic copolymer and process for producing same IDEMITSU KOSAN CO. LTD. (JP) 1996-09-10 US disclosed
EP-0511407-B1 STYRENIC COPOLYMER AND PRODUCTION THEREOF IDEMITSU KOSAN CO (JP) 1996-05-29 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5475061-A High degree of syndiotactic configuration; using alumoxane and transition metal compound catalysts IDEMITSU KOSAN CO., LTD. (JP) 1995-12-12 US disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0511407-A1 STYRENIC COPOLYMER AND PRODUCTION THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-11-04 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed