SCHEMBL9521048

SCHEMBL9521048

O=C(O)C(CCCCc1cccnc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.53
C3AR1 Q16581 5/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.47
FKBP1A P62942 1/20 0.45
PTAFR P25105 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9520578 0.99 TBXAS1 (0.55) TBXAS1C3AR1ALDH1A1LMNAPTAFR
SCHEMBL10399364 0.96 TBXAS1 (0.51) TBXAS1C3AR1ALDH1A1LMNAFKBP1A
SCHEMBL10399365 0.96 TBXAS1 (0.51) TBXAS1C3AR1ALDH1A1LMNAFKBP1A
SCHEMBL10398309 0.95 TBXAS1 (0.52) TBXAS1C3AR1ALDH1A1LMNA
SCHEMBL10398308 0.95 TBXAS1 (0.52) TBXAS1C3AR1ALDH1A1LMNA
SCHEMBL9519851 0.94 TBXAS1 (0.57) TBXAS1PTAFRTDP1L3MBTL1
SCHEMBL10397782 0.90 TBXAS1 (0.55) TBXAS1PTAFRTDP1L3MBTL1
SCHEMBL10397781 0.90 TBXAS1 (0.55) TBXAS1PTAFRTDP1L3MBTL1
SCHEMBL8503785 0.84 CYP2C9 (0.52) TBXAS1C3AR1ALDH1A1
SCHEMBL7539729 0.83 EPHX2 (0.54) L3MBTL1

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
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed