SCHEMBL4729107

SCHEMBL4729107

CCCCC(CC)C/C(C(=O)O)=C(/OOC(C)(C)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CA2 P00918 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PRSS1 P07477 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAPK1 P28482 4/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL4729114 1.00 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL4732187 0.83 CYP3A4 (0.37) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4732190 0.83 CYP3A4 (0.37) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4731793 0.82 MAPK1 (0.42) ALDH1A1KDM4EMAPK1TSHRHTT
SCHEMBL4731795 0.82 MAPK1 (0.42) ALDH1A1KDM4EMAPK1TSHRHTT
SCHEMBL4732240 0.81 CYP3A4 (0.35) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4732247 0.81 CYP3A4 (0.35) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4783443 0.80 CYP3A4 (0.35) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4783452 0.80 CYP3A4 (0.35) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL4731962 0.79 MAPK1 (0.47) ALDH1A1KDM4EMAPK1HDAC3HDAC4

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