SCHEMBL28120141

SCHEMBL28120141

C=C(C)[O-].CCS(=O)(=O)O.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA4 P22748 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
Methacrylic Acid SCHEMBL154990 0.87 CA4 (0.41) CA1MEN1ALDH1A1TSHRKMT2A
Acetic Acid SCHEMBL8458828 0.85 CA1 (0.56) CA1MEN1ALDH1A1TSHRKMT2A
Methacrylic Acid SCHEMBL27130007 0.83 CA4 (0.38) CA1ALDH1A1TSHRFFAR3HDAC3
Acetic Acid SCHEMBL8723844 0.82 CA1 (0.53) CA1MEN1ALDH1A1TSHRKMT2A
Methacrylic Acid SCHEMBL27040264 0.81 CA4 (0.36) CA1ALDH1A1FFAR3HDAC3HDAC1
Bromide SCHEMBL31153362 0.77
Hydrogen Sulfide SCHEMBL28557576 0.77
SCHEMBL29468599 0.77
Water SCHEMBL2168446 0.77
Hydrochloric Acid SCHEMBL29878467 0.77 TSHR (0.40) CA1MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106336485-A Anti-mud type low-slump-loss polycarboxylic acid water reducing agent and preparation method thereof 河北三楷深发科技股份有限公司 2017-01-18 CN disclosed