SCHEMBL28996265

SCHEMBL28996265

CC1(C(=O)NCC(=O)O)C=CC=CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
POLB P06746 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABAT P80404 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
SCHEMBL30354996 0.84 CA12 (0.30)
SCHEMBL4229895 0.77 MAPK1 (0.38) CYP3A4MAPK1SMN1; SMN2
SCHEMBL29980881 0.77 MME (0.38) MMEABAT
SCHEMBL28206514 0.75 DGAT1 (0.31)
SCHEMBL1044296 0.74 CYP3A4 (0.34) CYP3A4
SCHEMBL7535171 0.72
SCHEMBL8521845 0.72
SCHEMBL4209592 0.71 HPGD (0.37) POLBALDH1A1HPGDMAPK1LMNA
SCHEMBL5347884 0.71 MEN1 (0.33) CYP3A4MAPK1
SCHEMBL1767501 0.70 CYP3A4 (0.31) CYP3A4

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-111433335-B Lubricant composition and lubricating oil composition containing the same 株式会社ADEKA 2023-05-02 CN disclosed