SCHEMBL8717675

SCHEMBL8717675

CCCCCCCCOC1CCC(C)(C)CC1c1ncn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.32
LTA4H P09960 1/20 0.32
CHRM1 P11229 4/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL8717755 0.79 LTA4H (0.31) GBA1LTA4HCHRM1CHRM2
SCHEMBL8717759 0.79 LTA4H (0.31) GBA1LTA4HCHRM1CHRM2
SCHEMBL8717963 0.79 CHRM1 (0.33) GBA1CHRM1CHRM2
SCHEMBL8717962 0.71 GBA1 (0.34) GBA1
SCHEMBL9243674 0.70 GBA1 (0.42) GBA1
SCHEMBL9250532 0.70 GBA1 (0.42) GBA1
SCHEMBL9250188 0.67 TBXAS1 (0.42) GBA1
SCHEMBL9250184 0.67 TBXAS1 (0.42) GBA1
SCHEMBL9241744 0.67 GBA1 (0.34) GBA1
SCHEMBL9241749 0.67 GBA1 (0.34) GBA1

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-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed