SCHEMBL2011555

SCHEMBL2011555

CCC(N)C(CC(=O)O)(CC(=O)O)NCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC1A3 P43003 1/20 0.31

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
SCHEMBL284822 0.82 TDP1 (0.34) LMNATDP1
Water SCHEMBL7794241 0.81 TDP1 (0.33) LMNATDP1
Ammonia Solution, Strong SCHEMBL2157732 0.81 TDP1 (0.38) LMNATDP1
Ammonia Solution, Strong SCHEMBL3115882 0.81 TDP1 (0.38) LMNATDP1
Water SCHEMBL3638107 0.81 TDP1 (0.33) LMNATDP1
Trimethylammonium SCHEMBL10352504 0.80 TDP1 (0.30) TDP1
Trimethylammonium SCHEMBL10414365 0.80 TDP1 (0.30) TDP1
SCHEMBL6387911 0.80 HSPD1 (0.44) ALDH1A1
SCHEMBL10324867 0.79 TDP1 (0.32) TDP1
Ammonia Solution, Strong SCHEMBL9615775 0.79 TDP1 (0.37) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343906-B2 Alkaline liquid hand dish washing detergent composition THE PROCTER & GAMBLE COMPANY (US) 2013-01-01 US disclosed
WO-2011087754-A1 AN ALKALINE LIQUID HAND DISH WASHING DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2011-07-21 WO disclosed
EP-2338961-A1 An alkaline liquid hand dish washing detergent composition The Procter & Gamble Company (US) 2011-06-29 EP disclosed
US-20110152158-A1 ALKALINE LIQUID HAND DISH WASHING DETERGENT COMPOSITION PROCTER & GAMBLE COMPANY, THE 2011-06-23 US disclosed