SCHEMBL6895594

SCHEMBL6895594

CCCCOCCCO[AlH2]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.33
CES2 O00748 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL28354771 0.89
SCHEMBL1079513 0.88
SCHEMBL10725616 0.85
SCHEMBL27623453 0.85
SCHEMBL4324369 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL19433037 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL29812896 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL27864782 0.85 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL23784490 0.82 TSHR (0.63) TSHRCYP3A4MEN1THRBHTT
SCHEMBL13335222 0.82 TSHR (0.63) TSHRCYP3A4MEN1THRBHTT

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
WO-2004112176-A1 ELECTROLYTE MEMBRANE OF SILOXANE-BASED POLYMER AND SOLID POLYMER FUEL CELL UTILIZING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-12-23 WO disclosed