SCHEMBL9547826

SCHEMBL9547826

CC(CCCCCCCCCCCCCCCCCl)C(=O)OCl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
FAAH O00519 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
LTA4H P09960 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL27842678 1.00 CA1 (0.35) CA1FAAHCNR1CNR2ACE2
SCHEMBL27860143 0.98 CA1 (0.36) CA1FAAHCNR1CNR2LTA4H
SCHEMBL27842609 0.94 CA1 (0.34) CA1LTA4HBLM
SCHEMBL3081783 0.84 CA1 (0.53) CA1FAAHACE2ZDHHC7
SCHEMBL28233476 0.84 CA1 (0.53) CA1FAAHACE2ZDHHC7
SCHEMBL2856136 0.84 CA1 (0.53) CA1FAAHACE2ZDHHC7
SCHEMBL28883808 0.80 GABRR1 (0.39) CA1ACE2LTA4HALDH1A1TSHR
SCHEMBL11923821 0.80 SMN1; SMN2 (0.40) CA1ALDH1A1
SCHEMBL27967468 0.79 CA1 (0.47) CA1ACE2ZDHHC7ALDH1A1TSHR
SCHEMBL28703820 0.77 CA2 (0.47) CA1FAAHZDHHC7ALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5180761-A Solid lubricants treated with titanates or silane compounds NATIONAL SCIENCE COUNCIL (TW) 1993-01-19 US claimed
US-5180761-A Solid lubricants treated with titanates or silane compounds NATIONAL SCIENCE COUNCIL (TW) 1993-01-19 US disclosed