SCHEMBL31424837

SCHEMBL31424837

CCc1c(O)ccc(C=O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ ERN1 O75460 6/20 0.46
▸ TRIM24 O15164 2/20 0.46
▸ TRIM33 Q9UPN9 2/20 0.46
▸ TYR P14679 1/20 0.46
▸ PTPN1 P18031 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ TLR6 Q9Y2C9 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH5A1 P51649 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SRC P12931 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
SCHEMBL27892219 0.87 CA1 (0.51) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1396832 0.86 CA1 (0.54) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29818616 0.85 CA1 (0.47) CA1CA2ERN1TRIM24TRIM33
SCHEMBL8502169 0.81 ALDH1A1 (0.45) CA1CA2ERN1ALDH1A1TLR2
SCHEMBL29459741 0.80 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL12760728 0.80 ERN1 (0.40) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1003414 0.80 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1004130 0.78 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL16095211 0.78 ERN1 (0.45) ERN1TRIM24TRIM33TYRALDH1A1
SCHEMBL27683962 0.78 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33

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-119431135-B Preparation method of 4- (4-hydroxymethyl-3-methoxyphenoxy) butyric acid 安徽昊帆生物有限公司 2025-04-08 — — CN disclosed
CN-119431135-A Preparation method of 4- (4-hydroxymethyl-3-methoxyphenoxy) butyric acid 安徽昊帆生物有限公司 2025-02-14 — — CN disclosed
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