SCHEMBL10385682

SCHEMBL10385682

CC(O)CN1CCNCC1CCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
ZDHHC9 Q9Y397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10386723 0.84 CA1 (0.36) CA1CA2CA4CA9ZDHHC9
SCHEMBL4765501 0.83 SMN1; SMN2 (0.32) ZDHHC9SMN1; SMN2TDP1
SCHEMBL9801217 0.83 TDP1 (0.34) ZDHHC9TAAR1SMN1; SMN2TDP1
SCHEMBL21961904 0.81 SMN1; SMN2 (0.33) ZDHHC9SMN1; SMN2TDP1
SCHEMBL11344059 0.80 CA1 (0.41) CA1CA2CA4CA9TAAR1
SCHEMBL3611388 0.79 CA1 (0.43) CA1CA2CA4CA9
SCHEMBL31397702 0.78 TAAR1 (0.45) CA1CA2CA4CA9L3MBTL1
SCHEMBL366506 0.78 CA1 (0.42) CA1CA2CA4CA9L3MBTL1
Sulfuric Acid SCHEMBL27940085 0.77 CA1 (0.31) CA1CA2CA4CA9
SCHEMBL28144170 0.77 CA1 (0.39) CA1CA2CA4CA9TAAR1

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-4946612-A Lubricating oil composition for sliding surface and for metallic working and method for lubrication of machine tools using said composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-07 US disclosed