SCHEMBL28087458

SCHEMBL28087458

CC1(C(=O)O)CN(C(=O)O)CCC1O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
F10 P00742 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30782492 1.00 SMN1; SMN2 (0.33) SMN1; SMN2F10ALDH1A1NPC1MAPK1
SCHEMBL14800841 0.84 F10 (0.35) F10ALDH1A1NPC1NPSR1L3MBTL1
SCHEMBL30782507 0.81 ACHE (0.32) SMN1; SMN2ALDH1A1NPC1MAPK1NPSR1
SCHEMBL19617537 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL27970472 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL23578669 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1
SCHEMBL30782500 0.79 GAA (0.32) LMNA
SCHEMBL20973539 0.78 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1NPC1
SCHEMBL17438862 0.78 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1NPC1
SCHEMBL30782478 0.76 PTGS1 (0.33)

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
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed