SCHEMBL10522308

SCHEMBL10522308

CCCC(C)CCCOc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
SLC2A1 P11166 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR5A1 Q13285 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10406354 0.88 TDP1 (0.39) LTA4HTDP1SLC2A1MEN1KMT2A
SCHEMBL9625222 0.83 RARB (0.38) LTA4HTDP1SLC2A1MEN1KMT2A
SCHEMBL6538984 0.82 GPR88 (0.41)
SCHEMBL20357878 0.82 CYP2D6 (0.53) CYP3A4CYP2D6
SCHEMBL1244396 0.82 TDP1 (0.48) TDP1MEN1KMT2A
SCHEMBL9504511 0.81 SLC2A1 (0.39) LTA4HTDP1SLC2A1MEN1KMT2A
SCHEMBL658916 0.81 FDPS (0.47) TDP1
SCHEMBL14702129 0.81 MEN1 (0.55) LTA4HTDP1MEN1KMT2A
SCHEMBL29611988 0.80 NR5A1 (0.52) LTA4HSLC2A1NR5A1
SCHEMBL10415930 0.79 LTA4H (0.61) LTA4HTDP1MEN1KMT2ANR5A1

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
JP-1106847-A None JP disclosed
JP-H01106847-A OPTICALLY ACTIVE BENZOIC ACID ESTER COMPOUND ADEKA ARGUS CHEM CO LTD 1989-04-24 JP disclosed