SCHEMBL9258322

SCHEMBL9258322

CC(C)CCOP([O])(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ANPEP P15144 3/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MAPK1 P28482 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1173655 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL1270333 0.83 LPAR3 (0.46) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL25787052 0.81 SAT1 (0.41) ALDH1A1MEN1KMT2ACA12CA1
Phosphoric Acid SCHEMBL27874485 0.81 LPAR3 (0.45) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL28933243 0.81 LPAR3 (0.45) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL11677875 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACA12CA1
Methane SCHEMBL7755990 0.81 LPAR3 (0.45) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL155705 0.80 BTN3A1 (0.53)
SCHEMBL155704 0.80 BTN3A1 (0.53)
SCHEMBL9266137 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACA12CA1

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
US-5470889-A Fire resistant roofing material THE CELOTEX CORPORATION (US) 1995-11-28 US disclosed