SCHEMBL8601719

SCHEMBL8601719

C=CCOc1ccc(-c2cc(C#CCCCC(C)F)ccc2-c2cccnn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
MGAM O43451 3/20 0.31
GAA P10253 3/20 0.31
SI P14410 3/20 0.31
MGAM2 Q2M2H8 3/20 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
SCHEMBL8598924 0.88
SCHEMBL8598142 0.85 CYP19A1 (0.38) MGAMGAASIMGAM2
SCHEMBL8599197 0.82 DCTPP1 (0.35) DCTPP1SQORMGAMGAASI
SCHEMBL8601722 0.82 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL8598099 0.82 CYP2D6 (0.38) DCTPP1SQORMGAMGAASI
SCHEMBL8603472 0.81 DCTPP1 (0.33) DCTPP1SQOR
SCHEMBL7554326 0.79 CYP2D6 (0.36) DCTPP1
SCHEMBL7561123 0.79 CYP2D6 (0.40) MGAMGAASIMGAM2
SCHEMBL8604072 0.79 CYP2D6 (0.40) MGAMGAASIMGAM2
SCHEMBL7559453 0.77 CYP2D6 (0.36) MGAMGAASIMGAM2

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-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed