SCHEMBL176143

SCHEMBL176143

C=CC(=O)NC(CC)C(N)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
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
ACACB O00763 2/20 0.33
CYP2C19 P33261 2/20 0.33
LAP3 P28838 1/20 0.30
PAX8 Q06710 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL16333815 0.84 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8446187 0.78
Iodide SCHEMBL4843397 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Bromide SCHEMBL4449404 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL1040508 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3884328 0.76 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL6470862 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL108995 0.75
SCHEMBL1065203 0.75 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9137838 0.75 TSHR (0.46) 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