SCHEMBL8604338

SCHEMBL8604338

C=CCOc1cc(CCCCCC(C)F)ccc1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.42
CYP11B2 P19099 10/20 0.42
CYP19A1 P11511 5/20 0.41
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.38
PTAFR P25105 2/20 0.37
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL8602554 0.89 LTA4H (0.36) POLBLTA4HAAK1
SCHEMBL8600391 0.87 PTAFR (0.40) CYP11B1CYP11B2CYP19A1PTAFR
SCHEMBL8599334 0.83 PTAFR (0.46) CYP11B1CYP11B2CYP19A1PTAFR
SCHEMBL8603103 0.81 PTAFR (0.43) PTAFR
SCHEMBL8598821 0.81 LTA4H (0.35) LTA4H
SCHEMBL8597829 0.81 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1POLBAAK1
SCHEMBL8601450 0.81 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1POLBPTAFR
SCHEMBL8596673 0.81 FGFR4 (0.35) LTA4H
SCHEMBL8599817 0.80 PORCN (0.34) CYP19A1POLBLTA4HPTAFR
SCHEMBL8601305 0.80 PDE4A (0.34) POLBLTA4HPTAFR

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