SCHEMBL6576367

SCHEMBL6576367

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CYP3A4 P08684 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
CA2 P00918 3/20 0.40
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
FAAH O00519 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
SCHEMBL9169357 0.94 TSHR (0.54) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL2893858 0.87 TSHR (0.47) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL7656300 0.85 TSHR (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL28208137 0.85 TSHR (0.54) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL7871827 0.82 TSHR (0.43) TSHRCYP3A4TDP1ATMALDH1A1
Styrene SCHEMBL3297409 0.82 ALDH1A1 (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL6307511 0.82 TSHR (0.63) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL11698023 0.81 TSHR (0.44) TSHRTDP1ATMALDH1A1L3MBTL1
SCHEMBL7996150 0.79 TSHR (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL16412767 0.79 TSHR (0.59) TSHRCYP3A4TDP1ATMALDH1A1

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-1093470-B1 THERMOSET VOLATILE MONOMER MOLDING COMPOSITIONS AND METHOD FOR MOLDING DU PONT (US) 2004-04-28 EP disclosed
EP-1093470-A1 THERMOSET VOLATILE MONOMER MOLDING COMPOSITIONS AND METHOD FOR MOLDING E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-25 EP disclosed
WO-1999065950-A1 THERMOSET VOLATILE MONOMER MOLDING COMPOSITIONS AND METHOD FOR MOLDING E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-12-23 WO disclosed