SCHEMBL176142

SCHEMBL176142

C=CC(=O)NN(CC)CCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL588261 0.88 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10716958 0.87 ZDHHC20 (0.32) ZDHHC20ZDHHC2
SCHEMBL27129866 0.86 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28124287 0.74 KDM4E (0.32)
SCHEMBL588660 0.73 ZDHHC20 (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3315745 0.73 TSHR (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28347922 0.72 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11041251 0.72 KDM4E (0.34)
SCHEMBL28053903 0.71
SCHEMBL3319884 0.69 ZDHHC20 (0.42) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424354-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION Signal Investment & Management Co. (US) 2012-03-07 EP claimed
US-20100278906-A1 MOISTURIZING ANTIMICROBIAL COMPOSITION GOLD BOND CO LLC 2010-11-04 US claimed
WO-2010127231-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION SIGNAL INVESTMENT AND MANAGEMENT CO. (US) 2010-11-04 WO claimed
US-8388991-B2 Moisturizing antimicrobial composition CHATTEM, INC. (US) 2013-03-05 US disclosed
EP-2424354-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION Signal Investment & Management Co. (US) 2012-03-07 EP disclosed
US-20100278906-A1 MOISTURIZING ANTIMICROBIAL COMPOSITION GOLD BOND CO LLC 2010-11-04 US disclosed
WO-2010127231-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION SIGNAL INVESTMENT AND MANAGEMENT CO. (US) 2010-11-04 WO disclosed