SCHEMBL5807652

SCHEMBL5807652

CC(CO)(CO)CO.O=C(O)CCC(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
CYP1A2 P05177 2/20 0.40
TET2 Q6N021 3/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37

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
SCHEMBL39653 0.84 TET2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28358244 0.82 TET2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5081381 0.80 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27622393 0.80 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Potassium Ion SCHEMBL28375266 0.80 TET2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3082579 0.79 FOLH1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Glutarate SCHEMBL11514830 0.75 SLC22A6 (0.58) MEN1TSHRNFKB1KMT2A
Adipic Acid SCHEMBL536626 0.75 LMNA (0.58) MEN1TSHRNFKB1KMT2A
Adipic Acid SCHEMBL536963 0.75 LMNA (0.58) MEN1TSHRNFKB1KMT2A
Adipic Acid SCHEMBL536438 0.75 LMNA (0.58) MEN1TSHRNFKB1KMT2A

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
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed