SCHEMBL5838832

SCHEMBL5838832

C=C(CC(CC)CCCC)C(=O)O.C=CC(=O)OCC(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
HPGD P15428 1/20 0.41
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CA2 P00918 4/20 0.36
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL29365418 0.92 TSHR (0.76) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7637487 0.87 TSHR (0.59) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL29396343 0.86 TSHR (0.52) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL12076816 0.85 TSHR (0.88) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL29850497 0.83 TSHR (0.78) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid Ethyl Ester SCHEMBL17888695 0.82 TSHR (0.51) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL4419560 0.82 TSHR (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL11144828 0.82 TSHR (0.76) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL9315681 0.81 TSHR (0.62) TSHRHPGDCYP3A4ATMRECQL
SCHEMBL30588844 0.81 TSHR (0.66) TSHRHPGDCYP3A4TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992121-B1 Aqueous, polymodal, multistage polymer emulsions DSM IP ASSETS B.V. (NL) 2006-01-31 US disclosed
EP-1240223-B1 AQUEOUS, POLYMODAL, MULTISTAGE POLYMER EMULSIONS AVECIA BV (NL) 2004-01-21 EP disclosed
EP-1240223-A1 AQUEOUS, POLYMODAL, MULTISTAGE POLYMER EMULSIONS Avecia B.V. (NL) 2002-09-18 EP disclosed
WO-2001038412-A1 AQUEOUS, POLYMODAL, MULTISTAGE POLYMER EMULSIONS AVECIA B.V. (NL) 2001-05-31 WO disclosed