SCHEMBL28007472

SCHEMBL28007472

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPK1 P28482 1/20 0.69
ANPEP P15144 6/20 0.55
ERAP1 Q9NZ08 2/20 0.55
ERAP2 Q6P179 1/20 0.55
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC7A5 Q01650 1/20 0.38
LAP3 P28838 3/20 0.36
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 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
SCHEMBL4372384 0.89 ALDH1A1 (0.60) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL56311 0.89 ANPEP (0.65) TSHRALDH1A1MAPK1ANPEPERAP1
Hydrochloric Acid SCHEMBL56763 0.86 GMNN (0.63) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL10343746 0.86 ANPEP (0.61) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL11229 0.82
SCHEMBL3957860 0.82
SCHEMBL863191 0.82
Hydrochloric Acid SCHEMBL5755909 0.79
Hydrochloric Acid SCHEMBL28934945 0.79
SCHEMBL26665314 0.78 ANPEP (0.52) TSHRALDH1A1MAPK1ANPEPERAP1

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-103080844-B Rinse liquid for lithography and method for forming pattern using same MERCK PATENT GMBH 2015-05-13 CN claimed
CN-103080844-B Rinse liquid for lithography and method for forming pattern using same MERCK PATENT GMBH 2015-05-13 CN disclosed