SCHEMBL7632161

SCHEMBL7632161

CC(C)C(CC(O)C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PGR P06401 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MDM2 Q00987 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
SCHEMBL10345706 0.85 LMNA (0.53) LMNACES2CES1TDP1L3MBTL1
SCHEMBL7104388 0.82 PGR (0.50) LMNACES2CES1TDP1L3MBTL1
SCHEMBL28302809 0.77 TAAR1 (0.57) LMNATAAR1ALDH1A1ADRA2AHTR2A
SCHEMBL5711600 0.77 PGR (0.50) LMNACES2CES1TDP1L3MBTL1
SCHEMBL27580073 0.77 TAAR1 (0.52) LMNATAAR1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6896248 0.75 LMNA (0.47) LMNACES2CES1TDP1L3MBTL1
SCHEMBL11801689 0.74 PGR (0.46) LMNACES2CES1TDP1L3MBTL1
SCHEMBL25129603 0.74 TAAR1 (0.48) LMNATAAR1HSD17B10KMT2AKCNA3
SCHEMBL12445100 0.74 GRM2 (0.49) LMNATAAR1ALDH1A1KCNA3TSHR
SCHEMBL1822406 0.74 PGR (0.53) LMNACES2CES1TDP1L3MBTL1

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-6451948-B1 (METH)ACRYLATE COMPONENT; A THERMAL RESISTANCE-CONFERRING COMPONENT INCLUDING POLYMERIZABLE AROMATIC MATERIALS HAVING AT LEAST ONE CLAISEN REARRANGABLE FUNCTIONAL GROUP; AND (C) A RADICAL CURE-INDUCING COMPOSITION. LOCTITE CORPORATION 2002-09-17 US claimed