SCHEMBL28639602

SCHEMBL28639602

O=C(CCCO)C(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.46
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC1A1 P43005 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CES2 O00748 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
SCHEMBL10923900 0.82 SLC1A1 (0.33) CAMK2ASLC1A1
SCHEMBL6066567 0.77 CAMK2A (0.40) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL7728962 0.75 CES2 (0.59) GPR84CES2
SCHEMBL18560250 0.75 KDM4E (0.48) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL16592189 0.74
SCHEMBL8860533 0.72 CES2 (0.43) CES2
SCHEMBL2532886 0.72
SCHEMBL28938915 0.72 KDM4E (0.33) SLC1A1KDM4E
SCHEMBL3776439 0.70 ALDH1A1 (0.53) SLC1A1
SCHEMBL1900092 0.69

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-108289819-B Anhydrous spot-removing composition containing phenolic compounds 杭州鼎智生物医药有限公司 2021-09-10 CN disclosed