SCHEMBL5004376

SCHEMBL5004376

CC[C@](CCC(=O)O)(C(=O)O)N(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
THRB P10828 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
AKR1B1 P15121 1/20 0.32
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 7/20 0.31
PPARD Q03181 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
PTPN1 P18031 3/20 0.31
TLR2 O60603 2/20 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
SCHEMBL4998501 0.79 CYP2D6 (0.39) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL692324 0.71 NAALAD2 (0.44) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL509992 0.71 NAALAD2 (0.44) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2027663 0.69 NAALAD2 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL83753 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28136018 0.67 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL9495250 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11305844 0.67 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL8764214 0.66 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL3457541 0.66 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACYP1A2THRB

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