SCHEMBL28098442

SCHEMBL28098442

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.63
FOLH1 Q04609 2/20 0.54
TET2 Q6N021 3/20 0.52
GABRR1 P24046 2/20 0.52
KDM4A O75164 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
TET3 O43151 1/20 0.52
LMNA P02545 1/20 0.52
GPR84 Q9NQS5 4/20 0.52
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44

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
SCHEMBL214635 1.00 SLC22A6 (0.63) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL28073368 1.00 SLC22A6 (0.63) SLC22A6FOLH1TET2GABRR1KDM4A
Ammonia Solution, Strong SCHEMBL29700420 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377427 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377428 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377425 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377435 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377424 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
Ammonia Solution, Strong SCHEMBL20377433 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A
SCHEMBL20377431 0.97 SLC22A6 (0.60) SLC22A6FOLH1TET2GABRR1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037363-B A kind of entecavir compound prepared novel synthesis 山东罗欣药业集团股份有限公司 2016-08-24 CN claimed
CN-106554365-A A kind of preparation technology of entecavir midbodies and its application 青岛辰达生物科技有限公司 2017-04-05 CN disclosed