SCHEMBL8092013

SCHEMBL8092013

CCCCOCC(C)(CCCC)OC(=O)/C=C/C(=O)OC(C)(CCCC)COCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 4/20 0.41
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 2/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
APP P05067 1/20 0.32
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7949513 0.73 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5480792 0.71 LMNA (0.31)
SCHEMBL28780914 0.70 TSHR (0.50) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL4740024 0.69 ATM (0.34) ATMHCAR2TSHRHPGD
SCHEMBL9577732 0.69 ATM (0.74) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7720268 0.69 ATM (0.74) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL6864034 0.69 TSHR (0.38) ATMHCAR2TSHRHPGDCES2
SCHEMBL9577725 0.69 ATM (0.74) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL11749631 0.68 HCAR2 (0.38) ATMHCAR2
SCHEMBL11747402 0.68 HCAR2 (0.38) ATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006130-A1 Fumaric acid diester resin composition, cross-linked fumaric acid diester resin and process NOF CORPORATION (JP) 2000-06-07 EP disclosed