SCHEMBL8599334

SCHEMBL8599334

C=CCc1cc(CCCCCC(C)F)ccc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.46
ACE2 Q9BYF1 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
PPARA Q07869 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNA5 P22460 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PLA2G7 Q13093 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8600416 0.88 PTAFR (0.36) PTAFR
SCHEMBL8603103 0.88 PTAFR (0.43) PTAFRACE2AKR1C3AKR1C2CYP2C9
SCHEMBL8604338 0.83 CYP11B1 (0.42) PTAFRCYP11B1CYP11B2CYP19A1
SCHEMBL8602425 0.80 PTAFR (0.35) PTAFRACE2AKR1C3AKR1C2CNR1
SCHEMBL8600391 0.80 PTAFR (0.40) PTAFRCYP11B1CYP11B2PPARACYP19A1
SCHEMBL8603644 0.80 PTAFR (0.39) PTAFRACE2AKR1C3AKR1C2CYP2C9
SCHEMBL8600956 0.79 PTAFR (0.40) PTAFRACE2AKR1C3AKR1C2CYP11B1
SCHEMBL8597878 0.78 PTAFR (0.36) PTAFRCYP19A1CYP2C9CNR1CNR2
SCHEMBL8602905 0.77 PTAFR (0.37) PTAFRACE2CNR1CNR2
SCHEMBL8597214 0.76 CYSLTR2 (0.34) LMNA

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