SCHEMBL45856

SCHEMBL45856

CCC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ALOX5 P09917 2/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
TNFRSF1A P19438 1/20 0.40
EGFR P00533 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL47590 0.88 LMNA (0.55) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL10082434 0.85 LMNA (0.37) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL7792941 0.85 LMNA (0.54) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL8960347 0.81 LMNA (0.50) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL9446389 0.79 LMNA (0.46) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL8339389 0.79 CA2 (0.48) LMNARECQLPTGS1PTGS2CA2
SCHEMBL8335067 0.78 KDM4E (0.52) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL30924511 0.77 CYP1A2 (0.55) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL14532115 0.77 LMNA (0.45) LMNARECQLPTGS1PTGS2ALOX5
SCHEMBL17500097 0.77 CA2 (0.50) LMNARECQLCA2CA1SMN1; SMN2

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-8067402-B2 Methods and systems for coating an oral surface ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed