SCHEMBL4998637

SCHEMBL4998637

O=C(O)CN(CC(=O)O)[C@@](O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ADRA1A P35348 2/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
ACLY P53396 3/20 0.37
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4998632 1.00 ALDH1A1 (0.44) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL5177477 0.71 ALDH1A1 (0.31) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL1126526 0.70 ADRA1A (0.48) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL27981019 0.69 TDP1 (0.41) ALDH1A1ADRA1ATSHRCYP2C19CYP2D6
SCHEMBL9346279 0.68 ADRA1A (0.46) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL11800317 0.67 ADRA1A (0.43) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL1547956 0.67 ADRA1A (0.43) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
Citric Acid SCHEMBL4724917 0.67 ALDH1A1 (0.71) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL16390585 0.65 TSHR (0.40) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL5158079 0.65 TDP1 (0.38) ALDH1A1ADRA1ATSHRCYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795211-A2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2007-06-13 EP claimed
US-7420018-B2 Water-absorbing agent production process with surface crosslinking and ion blocking NIPPON SHOKUBAI CO., LTD. (JP) 2008-09-02 US disclosed
EP-1795211-A2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2007-06-13 EP disclosed
EP-0940148-B1 Water-absorbing agent and its production process and use NIPPON CATALYTIC CHEM IND (JP) 2006-05-24 EP disclosed
EP-1611949-A1 Water-Absorbing Agent and its Production Process and Use Nippon Shokubai Co., Ltd. (JP) 2006-01-04 EP disclosed
US-20050272600-A1 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. 2005-12-08 US disclosed
US-6964998-B2 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. (JP) 2005-11-15 US disclosed
US-20030176589-A1 Water-absorbing agent and its production process and use NIPPON SHOKUBAI CO., LTD. 2003-09-18 US disclosed
US-6599989-B2 Undergoes little deterioration with time when absorbing urine; high absorption amount till the leakage occurs in a used state very near to practical use. NIPPON SKOKUBAI CO., LTD. (JP) 2003-07-29 US disclosed
US-20020120074-A1 WATER-ABSORBING AGENT AND ITS PRODUCTION PROCESS AND USE NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-29 US disclosed
EP-0940148-A1 Water-absorbing agent and its production process and use Nippon Shokubai Co., Ltd. (JP) 1999-09-08 EP disclosed