SCHEMBL6162550

SCHEMBL6162550

CCC(C)(C)OOC(=O)c1ccccc1C(=O)OO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ELANE P08246 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2030231 0.93 TSHR (0.50) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL9103099 0.86 TSHR (0.43) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL27458878 0.84 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL22773852 0.84 ADRB2 (0.45) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL4612232 0.83 ELANE (0.49) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL2439254 0.83 TSHR (0.59) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL27927289 0.83 ALDH1A1 (0.57) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL29416841 0.82 TDP1 (0.49) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL31540149 0.82 TDP1 (0.49) TSHRALDH1A1TDP1HSD17B10L3MBTL1
SCHEMBL31540148 0.82 TDP1 (0.49) TSHRALDH1A1TDP1HSD17B10L3MBTL1

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-1589051-A1 Process for preparing graft polyols using enol ethers as reaction moderators BASF Corporation (US) 2005-10-26 EP disclosed
EP-1192198-A1 PROCESS FOR MAKING GRAFT POLYOLS USING T-AMYL PEROXY FREE RADICAL INITIATOR BASF CORPORATION (US) 2002-04-03 EP disclosed
US-6172164-B1 POLYMERIZING AN ETHYLENICALLY UNSATURATED MONOMER WITH A MACROMER WITH UNSATURATION IN PRESENCE OF FREE RADICAL INITIATOR BLEND OF TERT-AMYL PEROXY (2-ETHYLHEXANOATE AND 1,1'BIS(TERT-AMYL PEROXY) CYCLOHEXANE BASF CORPORATION 2001-01-09 US disclosed
WO-2000059971-A1 PROCESS FOR MAKING GRAFT POLYOLS USING T-AMYL PEROXY FREE RADICAL INITIATOR BASF CORPORATION (DE) 2000-10-12 WO disclosed