SCHEMBL28215407

SCHEMBL28215407

O=C(OC(=O)c1ccon1)c1ccon1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.41
RAPGEF3 O95398 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 3/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.33
ACACB O00763 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
AR P10275 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 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
SCHEMBL2122427 0.83
SCHEMBL14213341 0.83
SCHEMBL1558518 0.79 CHRNA4 (0.37) CHRNA4RAPGEF3RAPGEF4RAB9ACNR2
SCHEMBL1323514 0.76
SCHEMBL11166684 0.74
SCHEMBL826240 0.74
SCHEMBL28827221 0.74 LMNA (0.50) LMNAHPGDRAB9ANPC1POLB
SCHEMBL11658293 0.73 CHRNA4 (0.42) CHRNA4CNR2ACACBAR
Formaldehyde SCHEMBL1558516 0.73 CHRNA4 (0.41) CHRNA4RAPGEF3RAPGEF4LMNACNR2
SCHEMBL9114947 0.72 CHRNA4 (0.45) CHRNA4RAPGEF3RAPGEF4LMNARAB9A

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-108064313-A Compositions and methods for inhibiting gene expression of factor XII 箭头药业股份有限公司 2018-05-22 CN disclosed