SCHEMBL7746292

SCHEMBL7746292

C=CC(=O)NCCO.COC(C)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TSHR P16473 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 6/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32
CNR1 P21554 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
SCHEMBL9760543 0.90 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28462817 0.83 TSHR (0.64) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9357342 0.83 ZDHHC20 (0.42) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL27729246 0.82 ALDH1A1 (0.59) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL14966 0.82
Hydrochloric Acid SCHEMBL28790325 0.80
SCHEMBL3058219 0.80
Ethylene Glycol SCHEMBL28247245 0.80 ALDH1A1 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28446965 0.80
Ammonia Solution, Strong SCHEMBL27913409 0.80

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
US-6197919-B1 ADDITION POLYMERIZATION OF ANIONIC AND CATIONIC MONOMERS; CHAIN TRANSFER HERCULES INCORPORATED 2001-03-06 US claimed