SCHEMBL9554286

SCHEMBL9554286

CCOC(=O)CCN(C)CCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.67
ALOX5 P09917 3/20 0.65
SIGMAR1 Q99720 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL9731175 0.94 LTA4H (0.66) LTA4HALOX5SIGMAR1SMN1; SMN2THRA
SCHEMBL822621 0.89 LTA4H (0.60) LTA4HALOX5SIGMAR1THRATHRB
SCHEMBL9554296 0.88 ALOX5 (0.69) LTA4HALOX5SIGMAR1SMN1; SMN2THRA
SCHEMBL6839565 0.86 KCNH2 (0.64) LTA4HALOX5SMN1; SMN2TDP1FDPS
SCHEMBL9554159 0.86 LTA4H (0.51) LTA4HALOX5SIGMAR1SMN1; SMN2THRA
SCHEMBL1303146 0.85 LTA4H (0.62) LTA4HALOX5SMN1; SMN2
SCHEMBL260297 0.84 ALOX5 (0.76) ALOX5SMN1; SMN2TDP1
SCHEMBL25801191 0.84 LTA4H (0.61) LTA4HALOX5SIGMAR1TDP1
SCHEMBL6328999 0.83 ALOX5 (0.69) LTA4HALOX5TDP1
Hydrochloric Acid SCHEMBL27794216 0.83 ALOX5 (0.74) ALOX5SMN1; SMN2TDP1

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
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed