SCHEMBL5075330

SCHEMBL5075330

CCCCCOOOC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.40
TSHR P16473 3/20 0.39
DGKA P23743 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 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
SCHEMBL2553043 0.94 ALDH1A1 (0.43) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL2841961 0.88 NAAA (0.45) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL28001750 0.86 NAAA (0.48) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL834402 0.82 ALDH1A1 (0.46) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL17501910 0.81 NAAA (0.44) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL2517265 0.80 ALDH1A1 (0.45) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL474830 0.79 CA2 (0.56) NAAAEPHX1TSHRCYP3A4MAPK1
SCHEMBL7738353 0.78 ALDH1A1 (0.46) NAAAEPHX1TSHRDGKAHCAR2
SCHEMBL7069670 0.78 NAAA (0.42) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL7064626 0.78 NAAA (0.47) NAAAEPHX1TSHRDGKAHCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408056-B1 Preparation of expandable styrene polymers ARKEMA INC (US) 2008-04-23 EP disclosed
EP-1408056-A1 Preparation of expandable styrene polymers Atofina Chemicals, Inc. (US) 2004-04-14 EP disclosed
US-6608150-B1 Two organic peroxide initiators in styrene monomer suspension and one being an intermediate temperature peroxide, they have different one hour half life decomposition temperatures ATOFINA CHEMICALS, INC. 2003-08-19 US disclosed