SCHEMBL18554189

SCHEMBL18554189

CC(CC(O)CO)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.30
ENPEP Q07075 2/20 0.30
GABRR1 P24046 2/20 0.30
SLC7A5 Q01650 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
SCHEMBL22593906 1.00 LMNA (0.36) LMNAALDH1A1TDP1THRBTSHR
Ethylene Glycol SCHEMBL15646244 0.96 LMNA (0.33) LMNAALDH1A1TDP1THRB
SCHEMBL18391445 0.81 CA1 (0.35) LMNAALDH1A1TSHRENPEPGABRR1
SCHEMBL7376386 0.81 CA1 (0.35) LMNAALDH1A1TSHRENPEPGABRR1
SCHEMBL29608537 0.80 TSHR (0.33) TDP1TSHRENPEPGABRR1SLC7A5
SCHEMBL9611232 0.79 GABRR1 (0.38) LMNAENPEPGABRR1SLC7A5
SCHEMBL4751297 0.78 NAALAD2 (0.45) LMNAALDH1A1TDP1ENPEPGABRR1
SCHEMBL14795138 0.78 TSHR (0.35) LMNATDP1TSHRENPEPGABRR1
SCHEMBL22170188 0.77 CA1 (0.38) TDP1TSHRGABRR1
Isobutyramide SCHEMBL6027666 0.77 LMNA (0.50) LMNAALDH1A1TDP1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO disclosed
CN-101511328-B Ultraviolet screening agent for cosmetics and cosmetics using the same NIPPON CATALYTIC CHEM IND 2012-11-28 CN disclosed
CN-101511328-A Ultraviolet screening agent for cosmetics and cosmetics using the same NIPPON CATALYTIC CHEM IND (JP) 2009-08-19 CN disclosed
CN-1280324-C Method for synthesis of hybrid silicone and organic copolymer by controlled freeradical polymerisation RHONE POULENC CHIMIE (FR) 2006-10-18 CN disclosed
CN-1449417-A Method for synthesis of hybrid silicone and organic copolymer by controlled freeradical polymerisation RHONE POULENC CHIMIE (FR) 2003-10-15 CN disclosed