SCHEMBL4733228

SCHEMBL4733228

Cc1cccc(/C(C(=O)O)=C(/OOC(C)(C)c2ccccc2)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.40
PARP1 P09874 1/20 0.39
KCNK3 O14649 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR1 P21554 2/20 0.36

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
SCHEMBL4733233 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL8160928 0.87 TDP1 (0.47) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL8160923 0.87 TDP1 (0.47) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL4733227 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL5001576 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL4733828 0.74 TSHR (0.61) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL4733821 0.74 TSHR (0.61) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL7723600 0.73 PARP1 (0.61) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL7723603 0.73 PARP1 (0.61) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL4732093 0.72 MAPK1 (0.50) SMN1; SMN2MAPK1POLBMEN1KMT2A

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
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-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed