SCHEMBL7714036

SCHEMBL7714036

CCCC(Nc1cccc(C)c1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL28418972 0.85 POLB (0.50) TP53ALDH1A1GAAHSD17B10LMNA
SCHEMBL28512820 0.82 AURKA (0.47) ALDH1A1GAAHSD17B10LMNAHTT
SCHEMBL12953102 0.79 ALDH1A1 (0.47) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL28009264 0.78 GAA (0.50) TP53ALDH1A1GAAHSD17B10LMNA
SCHEMBL8706578 0.77 GAA (0.46) ALDH1A1GAAHSD17B10TSHRMAPT
SCHEMBL4738597 0.75 HDAC3 (0.47) MEN1HPGDKMT2ACA1CA2
SCHEMBL28469697 0.74 ACE (0.47) ALDH1A1GAAHTT
SCHEMBL5954840 0.74 POLB (0.48) LMNAHTTMAPTNPC1RAB9A
SCHEMBL11481798 0.74 CA12 (0.49) TP53ALDH1A1GAAHSD17B10MAPT
SCHEMBL5645144 0.74 MEN1 (0.46) ALDH1A1GAAHSD17B10LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6406667-B1 FLUORESCENT COMPOUNDS FOR CHEMILUMINESCENT COMPOUNDS DADE BEHRING MARBURG GMBH (DE) 2002-06-18 US disclosed
EP-1078265-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 2001-02-28 EP disclosed
WO-1999042838-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 1999-08-26 WO disclosed