SCHEMBL15831663

SCHEMBL15831663

Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1C(C)(O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.47
PGK2 P07205 1/20 0.47
AR P10275 3/20 0.43
HSD11B1 P28845 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 3/20 0.34
PDK2 Q15119 3/20 0.34
PDK3 Q15120 3/20 0.34
PDK4 Q16654 3/20 0.34
HSP90AA1 P07900 1/20 0.33
CA2 P00918 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL16838070 0.94 PGK1 (0.42) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL16838072 0.92 PGK1 (0.41) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL15957692 0.87 AR (0.39) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL15957664 0.86 CYP3A4 (0.43) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL15957626 0.85 SMN1; SMN2 (0.43) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL15957658 0.83 AR (0.44) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL17286707 0.83 ALOX15 (0.41) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL26601786 0.81 AR (0.38) PGK1PGK2ARHSD11B1SMN1; SMN2
SCHEMBL12126485 0.79 AR (0.46) ARHSD11B1SMN1; SMN2PDK1PDK2
SCHEMBL17286684 0.79 AR (0.46) ARPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061253-B2 Gas separation membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2015-06-23 US disclosed
US-20140174293-A1 Gas Separation Membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-26 US disclosed