SCHEMBL9823979

SCHEMBL9823979

CC(=O)OCC(CCO)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33

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
SCHEMBL4892644 0.84 TDP1 (0.42) TDP1LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL3153656 0.84 TDP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6916433 0.84 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3155490 0.84 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL692370 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Cadaverine Tartrate SCHEMBL29546907 0.77 TET2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3503355 0.75 USP2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7430188 0.75 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Acetic Acid Isobutyl Ester SCHEMBL29619289 0.73 TSHR (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4541642 0.73 ENPEP (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP claimed