SCHEMBL4732089

SCHEMBL4732089

CC(C)(COOC(C)(C)c1ccccc1)/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
KIF11 P52732 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
KCNN4 O15554 1/20 0.32
CHRM2 P08172 2/20 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
SCHEMBL10447763 0.81 MAPK1 (0.53) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL4732012 0.79 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5005106 0.75
SCHEMBL4732096 0.70 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL12599027 0.70 MAPK1 (0.61) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Bicarbonate SCHEMBL28837071 0.69 MAPK1 (0.81) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Bicarbonate SCHEMBL28584905 0.69 MAPK1 (0.81) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL8766265 0.69 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL9244855 0.69 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL4729697 0.68 HCAR2 (0.37) ALDH1A1TSHR

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