SCHEMBL7056685

SCHEMBL7056685

CC(C)CN(CC(C)C)C(C)CO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19903775 0.87 TSHR (0.38) TSHRTDP1CA12CA1CA2
SCHEMBL11213322 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2352086 0.75
SCHEMBL15317975 0.73
SCHEMBL8707 0.73
SCHEMBL10673601 0.73
SCHEMBL2478250 0.73 CYP1A2 (0.31) TSHRCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9232017 0.73 TSHR (0.39) TSHRTDP1
SCHEMBL11188919 0.71 LMNA (0.37) TSHRALDH1A1
SCHEMBL7965329 0.71 TSHR (0.37) TSHRCA12CA1CA2CA9

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-2003019383-A1 CRYSTALLINE ALUMINOPHOSPHATE PRODUCTION PROCESS AND CRYSTALLINE ALUMINOPHOSPHATE SHOWA DENKO KK (JP) 2003-03-06 WO disclosed