SCHEMBL4622720

SCHEMBL4622720

[c]1c2ccccc2cc2cccc(-c3ccc4cc5ccccc5cc4c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ESR2 Q92731 2/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ESR1 P03372 1/20 0.34
DHFR P00374 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 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
SCHEMBL2252828 0.84 TNF (0.36) HSD17B1HSD17B2ALDH1A1CASP1CASP7
SCHEMBL15865064 0.77 HDAC4 (0.36) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL28676386 0.76 KDM4E (0.38) ALDH1A1CASP1HIF1AHSD17B10HPGD
SCHEMBL29274331 0.73 GSTP1 (0.64) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL27890131 0.73 MCL1 (0.44) HDAC8ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4014642 0.72 GSTP1 (0.48) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL4216130 0.72 ESR1 (0.38) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL25177116 0.71 MCL1 (0.51) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL12474905 0.71 ALDH1A1 (0.44) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL29195637 0.71 MCL1 (0.51) GSTP1HDAC4HDAC2HDAC8ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021010-B1 CONDENSATION PRODUCTS, METHOD FOR THEIR PRODUCTION AND USE THEREOF IN MEDICAMENTS, AS DISINFECTANTS BASF SE (DE) 2014-04-23 EP disclosed
EP-1778763-B8 METHOD FOR PRODUCING HIGHLY BRANCHED POLYAMIDES BASF SE (DE) 2008-04-02 EP disclosed
EP-1778763-A1 METHOD FOR PRODUCING HIGHLY BRANCHED POLYAMIDES BASF Aktiengesellschaft (DE) 2007-05-02 EP disclosed
WO-2006018125-A1 METHOD FOR PRODUCING HIGHLY BRANCHED POLYAMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 WO disclosed