SCHEMBL9772499

SCHEMBL9772499

CCOC(=O)CCN(C)CCCOc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.81
TDP1 Q9NUW8 1/20 0.54
FDPS P14324 2/20 0.53

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
SCHEMBL7139497 0.90 LTA4H (1.00) LTA4H
SCHEMBL1469735 0.90 LTA4H (0.74) LTA4H
SCHEMBL25540208 0.89 LTA4H (0.73) LTA4H
SCHEMBL38664 0.86 LTA4H (0.60) LTA4HTDP1
SCHEMBL2787278 0.85 LTA4H (0.89) LTA4HFDPS
SCHEMBL767042 0.85 TDP1 (0.62) LTA4HTDP1
Hydrochloric Acid SCHEMBL9157294 0.84 LTA4H (0.86) LTA4HFDPS
SCHEMBL5491821 0.83 LTA4H (0.62) LTA4HTDP1
SCHEMBL1171721 0.82 LTA4H (0.61) LTA4HTDP1
SCHEMBL27629760 0.82 LTA4H (0.61) LTA4HTDP1

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
US-5036058-A Regulates calcium metabolism CIBA-GEIGY CORPORATION (US) 1991-07-30 US disclosed