SCHEMBL3261909

SCHEMBL3261909

CC1(C(=O)O)C(O)CCN1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR3 O14843 1/20 0.31
GAA P10253 1/20 0.30
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
SCHEMBL14812009 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL14812010 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL14812011 0.79 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL17004439 0.75 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL338106 0.71 ALDH1A1 (0.43) LMNASMN1; SMN2
SCHEMBL3442900 0.67 GAA (0.33) GAAL3MBTL1
SCHEMBL5597295 0.64 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL30782492 0.63 SMN1; SMN2 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL28087458 0.63 SMN1; SMN2 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL3645641 0.62 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO

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-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed