SCHEMBL4733824

SCHEMBL4733824

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.33
SRC P12931 1/20 0.33
CES1 P23141 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA12 O43570 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
SCHEMBL11128342 0.92 TDP1 (0.57) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL4783193 0.85 ALDH1A1 (0.40) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL11128336 0.79 TDP1 (0.53) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL28697 0.76 TDP1 (0.79) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL4007049 0.76 TSHR (0.50) TDP1ALDH1A1TSHRLMNAAKR1C1
SCHEMBL4007052 0.76 TSHR (0.50) TDP1ALDH1A1TSHRLMNAAKR1C1
SCHEMBL11128335 0.76 TDP1 (0.53) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL210320 0.76 AKR1C1 (0.44) TDP1ALDH1A1TSHRHSD17B10F2
Methane SCHEMBL534895 0.75 TSHR (0.48) TDP1ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5007689 0.74 ALDH1A1 (0.38) TDP1ALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US claimed
US-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US disclosed
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed
US-6093781-A STYRENIC MONOMER COPOLYMERIZED WITH NEW CLASS OF INITIATORS THAT CONTAIN BOTH A COPOLYMERIZABLE DOUBLE BOND AND AN ORGANIC PEROXIDE MOIETY; HIGH SPEED THERMOFORMING THE DOW CHEMICAL COMPANY (US) 2000-07-25 US disclosed
EP-0785964-B1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS DOW CHEMICAL CO (US) 1999-04-14 EP disclosed
US-5830924-A LOW DENSITY CLOSED CELL, BLOWING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-11-03 US disclosed
EP-0785957-B1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM DOW CHEMICAL CO (US) 1998-05-20 EP disclosed
EP-0785957-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
EP-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011962-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed