SCHEMBL6895597

SCHEMBL6895597

CCCCOC(CC)O[Al]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
DNM1 Q05193 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2311733 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL28261946 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL6375692 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL26986860 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL6376742 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL438937 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL9379251 0.76 ADRB2 (0.35) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL7889169 0.76 TSHR (0.36) ADRB2ADRB1ADRB3DNM1CA1
SCHEMBL24562854 0.75 DNM1 (0.52) DNM1CA1CA2TSHR
SCHEMBL13038625 0.75 DNM1 (0.52) DNM1CA1CA2TSHR

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