SCHEMBL11445877

SCHEMBL11445877

CC1(C)CC(C(=O)OC2CCCC2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.36
NAAA Q02083 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11445747 0.98 GAA (0.40) GAAEPHX1NAAACYP2C19ALDH1A1
SCHEMBL11463483 0.86 GAA (0.39) GAAALDH1A1RECQLLMNABACE1
SCHEMBL1311551 0.84 GAA (0.46) GAAEPHX1ALDH1A1FABP7FABP5
SCHEMBL11371775 0.82 GAA (0.36) GAAHTTBACE1
SCHEMBL1648735 0.81 GAA (0.50) GAATSHRRECQLPOLBL3MBTL1
SCHEMBL21163304 0.81 GAA (0.40) GAAPOLBCHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL22734801 0.80 GAA (0.49) GAATSHRRECQLPOLBL3MBTL1
SCHEMBL11482867 0.79 GAA (0.47) GAARECQLLMNATP53POLB
SCHEMBL21163037 0.78 CHRM2 (0.35) GAARECQLLMNACHRM2CHRM4
SCHEMBL13949106 0.78 GAA (0.50) GAATSHRRECQLPOLBL3MBTL1

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-RE30385-E Light and heat stabilizers for polyolefins AMERICAN CYANAMID COMPANY (US) 1980-08-26 US disclosed
US-4064102-A Light and heat stabilizers for polyolefins AMERICAN CYANAMID COMPANY (US) 1977-12-20 US disclosed