SCHEMBL9517538

SCHEMBL9517538

CCCCCCCCCCCCO[Si](C)(C)C(C)(C)CBr

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.31
TSHR P16473 1/20 0.31
CES1 P23141 1/20 0.31
LPAR3 Q9UBY5 6/20 0.31
LPAR2 Q9HBW0 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
LPAR1 Q92633 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 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
SCHEMBL3171384 1.00 FAAH (0.33) FAAHALDH1A1TDP1THRBMEN1
SCHEMBL6857336 1.00 FAAH (0.33) FAAHALDH1A1TDP1THRBMEN1
SCHEMBL6608086 0.84
SCHEMBL27408823 0.81 ALDH1A1 (0.34) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL13645501 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL18746891 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL9671669 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL8072599 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL31039441 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT
SCHEMBL29928092 0.79 DUT (0.38) ALDH1A1TDP1THRBMEN1HTT

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
EP-0384842-B1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
EP-0384842-A1 19-Nor steroids substituted at position 11-beta by a hydrocarbon chain containing an amide or carbamate group, their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP disclosed