SCHEMBL8736966

SCHEMBL8736966

C=COCCCCOC(=O)/C=C\C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
HCAR2 Q8TDS4 5/20 0.51
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
APP P05067 1/20 0.36
LMNA P02545 1/20 0.36
MDM2 Q00987 1/20 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
SCHEMBL8736969 1.00 ATM (0.55) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL5857249 0.91 TSHR (0.56) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL5857260 0.91 TSHR (0.56) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL9185807 0.91 TSHR (0.56) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL16690661 0.89 HCAR2 (0.53) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL22072011 0.83 ATM (0.61) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL9446376 0.81 ALDH1A1 (0.50) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL27619590 0.81 ATM (0.76) ATMHCAR2TSHRHPGDMAPT
Diethyl Maleate SCHEMBL28137074 0.81 TSHR (0.70) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL19376412 0.81 ATM (0.69) ATMHCAR2TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462183-B1 FREE-RADICAL CURABLE COMPOSITIONS DSM NV (NL) 1998-06-10 EP disclosed
US-5334456-A Containing vinyl ether groups and maleate or fumarate groups STAMICARBON B.V. (NL) 1994-08-02 US disclosed
EP-0462183-A4 FREE-RADICAL CURABLE COMPOSITIONS 1992-02-26 EP disclosed
EP-0462183-A1 FREE-RADICAL CURABLE COMPOSITIONS DSM N.V. (NL) 1991-12-27 EP disclosed
WO-1990010662-A1 FREE-RADICAL CURABLE COMPOSITIONS DESOTO, INC. (US) 1990-09-20 WO disclosed