SCHEMBL4729112

SCHEMBL4729112

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
PRSS1 P07477 2/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL4732188 0.84 TSHR (0.35) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL4732244 0.82 TSHR (0.34) ALDH1A1CA2CYP3A4MAPK1
SCHEMBL4783446 0.81 TSHR (0.33) CA2CYP3A4MAPK1CTSK
SCHEMBL4731966 0.81 MAPK1 (0.42) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL8923209 0.77 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL8031491 0.75 CA2 (0.45) ALDH1A1CA2CYP3A4MAPK1PRSS1
SCHEMBL4729114 0.74 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL4729107 0.74 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL8923215 0.74 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL27619467 0.72 TSHR (0.43) ALDH1A1CA2CYP3A4MAPK1LMNA

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 10 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
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