SCHEMBL30853072

SCHEMBL30853072

CCCCCCCCCCC(NC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.55
▸ NOD1 Q9Y239 2/20 0.49
▸ FFAR1 O14842 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ ZDHHC20 Q5W0Z9 1/20 0.47
▸ ZDHHC2 Q9UIJ5 1/20 0.47
▸ ACE P12821 3/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL11220090 0.91 GPR84 (0.57) GPR84NOD1FFAR1MAPTLCK
SCHEMBL17024089 0.91 GPR84 (0.57) GPR84NOD1FFAR1MAPTLCK
SCHEMBL8714169 0.89 ZDHHC7 (0.49) GPR84NOD1FFAR1MAPTLCK
SCHEMBL6238817 0.82 CA2 (0.52) GPR84NOD1FFAR1MAPTLCK
SCHEMBL7568291 0.80 GPR84 (0.50) GPR84NOD1FFAR1MAPTLCK
SCHEMBL21059255 0.79 NOD1 (0.49) GPR84NOD1FFAR1MAPTLCK
SCHEMBL21059256 0.79 NOD1 (0.49) GPR84NOD1FFAR1MAPTLCK
SCHEMBL27502720 0.79 NOD1 (0.53) GPR84NOD1FFAR1MAPTLCK
SCHEMBL2916092 0.78 CA2 (0.48) MAPT
SCHEMBL1457564 0.78 CA2 (0.48) MAPT

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-117924107-A Preparation method and application of low-temperature-resistant amino acid collector 郑州大学 2024-04-26 — — CN disclosed
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