SCHEMBL9512147

SCHEMBL9512147

O=C(O)OC1CNCC(OC(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.34
CHRNA4 P43681 7/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA7 P36544 4/20 0.34
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
BLM P54132 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 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
SCHEMBL688937 0.90
Hydrochloric Acid SCHEMBL3412250 0.87
SCHEMBL14744313 0.81 CHRNA7 (0.32) CHRNA7CYP2D6LMNABLMALOX15
SCHEMBL10618631 0.81 CHRNA7 (0.32) CHRNA7CYP2D6LMNABLMALOX15
SCHEMBL1070625 0.81 CHRNA7 (0.32) CHRNA7CYP2D6LMNABLMALOX15
SCHEMBL671927 0.81 CHRNA7 (0.32) CHRNA7CYP2D6LMNABLMALOX15
SCHEMBL5269743 0.76
SCHEMBL906168 0.76 SERPINE1 (0.35) CHRNA7
SCHEMBL1070318 0.76 SERPINE1 (0.35) CHRNA7
SCHEMBL9165242 0.76 SERPINE1 (0.35) CHRNA7

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
EP-0300462-B1 HETEROCYCLIC PEROXYCARBOXYLIC ACIDS AUSIMONT S.p.A. (IT) 1993-09-29 EP claimed