SCHEMBL5575272

SCHEMBL5575272

CCCCC(C)OOC(=O)c1ccccc1C(=O)OOC(C)CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
CYP3A4 P08684 3/20 0.54
CA2 P00918 1/20 0.54
TSHR P16473 7/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
CTSK P43235 2/20 0.39

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
SCHEMBL29124275 0.94 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL30716581 0.94 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL28454845 0.94 ALDH1A1 (0.66) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL3911167 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL27519361 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL29828588 0.83 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL4291079 0.83 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL30766153 0.83 TSHR (0.50) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL7266974 0.80 UTS2R (0.40) ALDH1A1CYP3A4CA2TSHRMAPK1
Diethylamine SCHEMBL2931167 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2TSHRTDP1

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-7249723-B2 Organic solvent dispersed nano-talc slurry NGX, INC. (US) 2007-07-31 US disclosed
WO-2007024252-A2 ORGANIC SOLVENT DISPERSED NANO-TALC SLURRY NANOMAT, INC. (US) 2007-03-01 WO disclosed
US-20060086837-A1 Dry milling talc powder, mixing the dry-milled nano-talc powder with an organic solvent andwet milling the nano-talc-solvent mix NGX, INC. 2006-04-27 US disclosed