SCHEMBL20239804

SCHEMBL20239804

CC(C)=C(C)C(=O)OC(=O)CC(=O)O.[KH]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL20239785 0.98 LDHA (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL8356230 0.81 FFAR3 (0.36) LDHASRRFFAR3TSHRMGAM
SCHEMBL6550853 0.78 LDHA (0.47) LDHASRRFFAR3TSHREGLN1
SCHEMBL2367690 0.77 ALDH1A1 (0.38) FFAR3TSHRMGAMGAASI
SCHEMBL20239703 0.76 ALOX15 (0.34)
Ammonia Solution, Strong SCHEMBL28858098 0.76 LDHA (0.44) LDHASRRFFAR3TSHREGLN1
SCHEMBL28514124 0.76 ALDH1A1 (0.48) LDHASRRFFAR3TSHRMGAM
SCHEMBL15254683 0.75 ALDH1A1 (0.36) FFAR3TSHR
Boric Acid SCHEMBL29157703 0.75 LDHA (0.38) LDHASRRFFAR3TSHR
SCHEMBL7843043 0.74 ALDH1A1 (0.47) LDHASRRFFAR3TSHRMGAM

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
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed