SCHEMBL4732096

SCHEMBL4732096

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4731966 0.81 MAPK1 (0.42) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL8166385 0.81 MAPK1 (0.42) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL8166484 0.79 MAPK1 (0.38) MAPK1ALDH1A1ALOX15MAPT
SCHEMBL4732018 0.78 ALDH1A1 (0.31) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6243864 0.77 MAPK1 (0.55) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL11125428 0.76 L3MBTL1 (0.38) ALDH1A1ALOX15TSHRHSD17B10TDP1
SCHEMBL7161015 0.74
SCHEMBL4733232 0.73 SMN1; SMN2 (0.36) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4733014 0.73
SCHEMBL5005110 0.73

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 6 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
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