SCHEMBL28298899

SCHEMBL28298899

CO[Si](OC)(OC)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CNR2 P34972 1/20 0.34
PARP1 P09874 1/20 0.33
AXL P30530 1/20 0.33
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 2/20 0.31
NFE2L2 Q16236 1/20 0.31
NCF1 P14598 1/20 0.31
AR P10275 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOTUM Q6P988 1/20 0.30
ULK1 O75385 1/20 0.30
CTSS P25774 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL28518331 0.82 HSD11B1 (0.39) HSD11B1MEN1KMT2AIDO1
Hydrochloric Acid SCHEMBL19405472 0.73 HSD11B1 (0.40) HSD11B1CNR2PARP1AXLP2RX7
Hydrochloric Acid SCHEMBL19405623 0.73 HSD11B1 (0.43) HSD11B1CNR2PARP1AXLNCF1
Bromide SCHEMBL19405412 0.73 HSD11B1 (0.40) HSD11B1CNR2PARP1AXLP2RX7
Bromide SCHEMBL19405443 0.73 HSD11B1 (0.43) HSD11B1CNR2PARP1AXLP2RX7
SCHEMBL2000756 0.72 HSD11B1 (0.46) HSD11B1CNR2PARP1AXLP2RX7
SCHEMBL9952870 0.71 AR (0.44) HSD11B1NFE2L2ARTSHRSMN1; SMN2
SCHEMBL28156149 0.70 IDO1 (0.35) HSD11B1KMT2AIDO1NFE2L2TSHR
Lithium SCHEMBL5691154 0.70 HSD11B1 (0.44) HSD11B1CNR2PARP1AXLP2RX7
SCHEMBL16829403 0.69 CTSS (0.44) HSD11B1P2RX7KMT2AIDO1NFE2L2

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
CN-106232675-B Silane compound containing perfluor (poly-) ether 大金工业株式会社 2019-05-14 CN disclosed