SCHEMBL8599197

SCHEMBL8599197

C=CCOc1ccc(-c2cc(CCCCCC(C)F)ccc2-c2cccnn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
LTA4H P09960 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
SLC5A2 P31639 1/20 0.30
MGAM O43451 3/20 0.30
GAA P10253 3/20 0.30
SI P14410 3/20 0.30
MGAM2 Q2M2H8 3/20 0.30
ALDH1A1 P00352 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL8601588 0.88 PTAFR (0.32)
SCHEMBL8600391 0.85 PTAFR (0.40)
SCHEMBL8603472 0.82 DCTPP1 (0.33) DCTPP1SQOR
SCHEMBL8601719 0.82 DCTPP1 (0.33) DCTPP1SQORMGAMGAASI
SCHEMBL8597467 0.81 SRC (0.33) MGAMGAASIMGAM2
SCHEMBL7554341 0.79 MAPT (0.39) DCTPP1ALDH1A1SIRT1
SCHEMBL8598085 0.78 CYP2D6 (0.39) ALDH1A1
SCHEMBL7556418 0.78 CYP2D6 (0.39) ALDH1A1
SCHEMBL7560349 0.77 SRC (0.36) LTA4HALDH1A1
SCHEMBL7555471 0.77 MAPT (0.42) DCTPP1ALDH1A1SIRT1

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