SCHEMBL28063070

SCHEMBL28063070

O=C(O)C1CCC(CN2C(=O)C=CC2=O)CC1.O=C1CCC(=O)N1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
TACR1 P25103 1/20 0.32
TAS2R14 Q9NYV8 3/20 0.31
CREBBP Q92793 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL159817 0.85 LMNA (0.46) BACE1BACE2PLGPLATLMNA
SCHEMBL890390 0.85 LMNA (0.46) BACE1BACE2PLGPLATLMNA
SCHEMBL4594540 0.84 BACE1 (0.38) BACE1BACE2PLGPLATLMNA
Hydrochloric Acid SCHEMBL25415692 0.83 LMNA (0.44) BACE1BACE2PLGPLATLMNA
SCHEMBL28102949 0.82 BACE1 (0.36) BACE1BACE2PLGPLATLMNA
Succinic Acid SCHEMBL23234379 0.79 PTGS1 (0.42) BACE1BACE2PLGPLATLMNA
Succinimide SCHEMBL9845552 0.79 BACE1 (0.41) BACE1BACE2PLGPLATLMNA
SCHEMBL27444030 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28481361 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL535579 0.77 PLG (0.47) BACE1BACE2PLGPLATLMNA

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-103037900-B Folate receptor 1 antibodies and immunoconjugates and uses thereof IMMUNOGEN INC. (US) 2016-04-06 CN disclosed