SCHEMBL28055085

SCHEMBL28055085

O=C(O)Cc1nccn1CCOCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TBXAS1 P24557 1/20 0.34
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC25B P30305 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL28120475 0.84 ESR1 (0.41) SMN1; SMN2ESR1FPR2LMNA
Glycine SCHEMBL28141302 0.79 ESR1 (0.37) SMN1; SMN2ESR1FPR2LMNA
SCHEMBL17669581 0.74 FPR2 (0.52) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL29651715 0.74 ARG1 (0.42) SMN1; SMN2ESR1KMT2AFPR2ALDH1A1
SCHEMBL2127853 0.73 ALPG (0.42) SMN1; SMN2ESR1TBXAS1ALDH1A1
SCHEMBL27978839 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ESR1MEN1KMT2AFPR2
SCHEMBL3383201 0.71 ESR1 (0.35) SMN1; SMN2ESR1TBXAS1FPR2
SCHEMBL14920566 0.71 ESR1 (0.58) SMN1; SMN2ESR1MEN1KMT2AALDH1A1
Quinoline SCHEMBL27934280 0.70 ALDH1A1 (0.42) ESR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31154491 0.69 FPR2 (0.39) SMN1; SMN2ESR1FPR2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105518158-A Alkaline treatment of lignocellulosic biomass SUGANIT SYSTEMS INC 2016-04-20 CN claimed
CN-105518158-A Alkaline treatment of lignocellulosic biomass SUGANIT SYSTEMS INC 2016-04-20 CN disclosed