SCHEMBL28646859

SCHEMBL28646859

N[C@@H](CS)C(=O)Oc1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SRC P12931 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36

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
SCHEMBL8035805 0.86 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL28426584 0.84 PTGDR2 (0.47) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL27945937 0.82 ALPI (0.51) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11839630 0.81 ERN1 (0.41) PTGDR2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8039285 0.80 DPP7 (0.44) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL12966357 0.79 SRC (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1163359 0.79 SRC (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL28036181 0.79 PTGDR2 (0.42) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
Cysteine SCHEMBL27966786 0.77 PTGDR2 (0.51) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5803094 0.75 ATM (0.45) HPGDTDP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107049931-B Soybean protein composite polymer micro-gel based antioxidant and preparation method thereof 西北师范大学 2021-05-04 — — CN disclosed
CN-107049931-B Soybean protein composite polymer micro-gel based antioxidant and preparation method thereof 西北师范大学 2021-05-04 — — CN disclosed
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