SCHEMBL7512339

SCHEMBL7512339

CCCCCCC(C)(O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 2/20 0.38
SOAT1 P35610 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP51A1 Q16850 1/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 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
SCHEMBL7515276 1.00 HSP90AA1 (0.38) HSP90AA1HSP90AB1SOAT1LMNACYP3A4
SCHEMBL7514982 1.00 HSP90AA1 (0.38) HSP90AA1HSP90AB1SOAT1LMNACYP3A4
SCHEMBL24836099 0.84 CNR2 (0.42) SOAT1CNR2CNR1
SCHEMBL19965715 0.82 SOAT1 (0.34) HSP90AA1SOAT1LMNACYP3A4CYP19A1
SCHEMBL9233049 0.79 ESR1 (0.39) HSP90AA1HSP90AB1MEN1POLBAPEX1
SCHEMBL9284235 0.79 ESR1 (0.39) HSP90AA1HSP90AB1MEN1POLBAPEX1
SCHEMBL30526183 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1CNR2CNR1RIPK1
SCHEMBL24252081 0.77 SOAT1 (0.35) HSP90AA1SOAT1LMNACYP3A4CYP19A1
SCHEMBL8696180 0.76 CYP3A4 (0.42) HSP90AA1LMNACYP3A4CYP19A1CYP2C9
SCHEMBL8696183 0.76 CYP3A4 (0.42) HSP90AA1LMNACYP3A4CYP19A1CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714984-B1 Process for producing optically active alcohol containing phenyl group NISSHIN OIL MILLS LTD (JP) 2002-01-02 EP disclosed
US-5600027-A Process for producing optically active alcohol containing phenyl group THE NISSHIN OIL MILLS, LTD. (JP) 1997-02-04 US disclosed
EP-0714984-A2 Process for producing optically active alcohol containing phenyl group The Nisshin Oil Mills, Ltd. (JP) 1996-06-05 EP disclosed