SCHEMBL9302022

SCHEMBL9302022

O=C(O)CC[C@@H](O)C[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.46
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
TET3 O43151 1/20 0.46
FOLH1 Q04609 6/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM3 Q14832 3/20 0.39
CYP1A2 P05177 2/20 0.39
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

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
SCHEMBL23927578 0.87
SCHEMBL326464 0.87
SCHEMBL8655218 0.87
Water SCHEMBL6694857 0.85 TET2 (0.50) TET2KDM4AKDM4CKDM2ATET3
Bicarbonate SCHEMBL9800960 0.85 TET2 (0.50) TET2KDM4AKDM4CKDM2ATET3
Adipic Acid SCHEMBL6859380 0.83 LMNA (0.55) FOLH1
Acetic Acid SCHEMBL5857865 0.81 TET2 (0.46) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL26138088 0.81 SLC22A6 (0.55) TET2KDM4AKDM4CKDM2ATET3
Acetic Acid SCHEMBL524136 0.81 TET2 (0.46) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL20610500 0.79 TET2 (0.44) TET2KDM4AKDM4CKDM2ATET3

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
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 US disclosed