SCHEMBL28869446

SCHEMBL28869446

C=C(CN1CCCC1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
XPO1 O14980 1/20 0.36

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
SCHEMBL2038297 0.98 GAA (0.41) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL3990594 0.92 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2GAAMAPT
SCHEMBL12764466 0.92 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2GAAMAPT
SCHEMBL3129789 0.84 TSHR (0.50) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL2311235 0.78 TSHR (0.44) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL5070585 0.78 TSHR (0.35) TSHRMEN1KMT2ALMNA
SCHEMBL6058664 0.77 CHRM2 (0.46) ALDH1A1LMNASMN1; SMN2GAAMAPT
SCHEMBL65358 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4080149 0.75 GAA (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL865518 0.75 GAA (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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-109350847-A A kind of functionalization implanted flexible electrode and its application 深圳先进技术研究院 2019-02-19 CN claimed