SCHEMBL7108229

SCHEMBL7108229

CC(C)CC(N)N(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
ANPEP P15144 5/20 0.36
SLC7A5 Q01650 1/20 0.34
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1830704 0.75 MAPT (0.35) MAPT
SCHEMBL4889235 0.74 MAPT (0.38) TSHRALDH1A1MAPT
SCHEMBL5393625 0.74 MAPT (0.32) MAPT
SCHEMBL19021023 0.73 MAPT (0.33) TSHRMAPTTDP1
SCHEMBL17449159 0.73 MAPT (0.33) TSHRALDH1A1ANPEPLAP3ERAP1
SCHEMBL8669141 0.72 MAPT (0.30) MAPT
SCHEMBL19015359 0.71 TSHR (0.36) TSHRMAPT
SCHEMBL29635020 0.71 TSHR (0.33) TSHRMAPT
SCHEMBL28208724 0.70 FDPS (0.35) MAPT
SCHEMBL322499 0.69 LMNA (0.47) TSHRALDH1A1LAP3MAPTCYP3A4

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-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP claimed