SCHEMBL4800802

SCHEMBL4800802

Cc1[c]c2cccc(O)c2c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
APP P05067 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
DNMT1 P26358 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL3524997 0.79 CYP1A2 (0.33) TRPA1ATMTSHRALDH1A1CA1
SCHEMBL6391235 0.68
SCHEMBL2142605 0.68 ALDH1A1 (0.42) TRPA1HPGDALOX15RECQLHSD17B10
SCHEMBL4800808 0.68 TRPA1 (0.40) TRPA1ATMHPGDHSD17B10ALDH1A1
SCHEMBL718918 0.66 CYP1A2 (0.36) ATMHPGDHSD17B10TSHRCASP1
SCHEMBL28942931 0.66 MAPT (0.52) TRPA1ATMHPGDALOX15RECQL
SCHEMBL4802410 0.65 KDM4E (0.39) HPGDHSD17B10MAPTTSHRALDH1A1
SCHEMBL4873527 0.64 TRPA1 (0.72) TRPA1ATMHPGDALOX15RECQL
SCHEMBL33721 0.64
SCHEMBL4802146 0.63 KDM4E (0.44) HPGDHSD17B10TDP1MAPTALDH1A1

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-7433118-B2 Bridged polysesquioxane host matrices containing lanthanides chelated by organic guest ligands, and methods of making such matrices LUCENT TECHNOLOGIES INC. (US) 2008-10-07 US disclosed
US-20040263952-A1 Bridged polysesquioxane host matrices containing lanthanides chelated by organic guest ligands, and methods of making such matrices LUCENT TECHNOLOGIES, INC. (US) 2004-12-30 US disclosed