SCHEMBL9634657

SCHEMBL9634657

CC(C)(C)Sc1ccccc1CO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.59
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 4/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
FFAR4 Q5NUL3 3/20 0.34
LDHA P00338 1/20 0.34
KLF10 Q13118 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL14544002 0.81 GABRA1 (0.43) APOBEC3GFFAR4FFAR1AOC3
SCHEMBL24596802 0.80 APOBEC3G (0.67) APOBEC3GSLC6A4SLC6A2PDCD1CD274
SCHEMBL864206 0.80 APOBEC3G (0.55) APOBEC3GSLC6A4SLC6A2PDCD1CD274
SCHEMBL4920319 0.79 SLC6A4 (0.45) APOBEC3GSLC6A4SLC6A2SLC6A3AOC3
SCHEMBL28802335 0.79 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2FFAR4FFAR1
SCHEMBL6934720 0.77 AOC3 (0.37) APOBEC3GSLC6A4AOC3
SCHEMBL1146142 0.76 APOBEC3G (0.67) APOBEC3GSLC6A4SLC6A2PDCD1CD274
SCHEMBL7262305 0.75 APOBEC3G (1.00) APOBEC3GSLC6A4SLC6A2PDCD1CD274
SCHEMBL4442278 0.75 APOBEC3G (0.73) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL28533771 0.75 ALDH1A1 (0.43) APOBEC3GSLC6A4SLC6A2FFAR4FFAR1

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-5175167-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed