SCHEMBL4783193

SCHEMBL4783193

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2 P00734 1/20 0.33
AKR1C1 Q04828 1/20 0.32
HPGD P15428 2/20 0.31

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
SCHEMBL4733824 0.85 TDP1 (0.51) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL11128342 0.81 TDP1 (0.57) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL28734 0.79 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL4733006 0.75
SCHEMBL9240032 0.73 L3MBTL1 (0.40) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL5001491 0.72
SCHEMBL14862140 0.72 ALDH1A1 (0.68) ALDH1A1TDP1TSHRHSD17B10KMT2A
SCHEMBL4007049 0.72 TSHR (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL4007052 0.72 TSHR (0.50) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL210320 0.71 AKR1C1 (0.44) ALDH1A1TDP1TSHRHSD17B10KMT2A

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 7 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 disclosed
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO 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
WO-1996011962-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed