SCHEMBL7102549

SCHEMBL7102549

C=C(C)C(=O)OCCCOC(=O)c1cccc(C(=O)OCCCOC(=O)C(=C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.44
SERPINE1 P05121 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4812806 0.94 THRB (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL17034384 0.91 RAB9A (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL17036927 0.90 TDP1 (0.54) TDP1POLBAPEX1HTTNPC1
SCHEMBL435195 0.89 TDP1 (0.66) TDP1POLBAPEX1HTTTSHR
SCHEMBL21312162 0.89 TDP1 (0.50) TDP1POLBAPEX1HTTNPC1
SCHEMBL1152169 0.88 TDP1 (0.55) TDP1POLBAPEX1HTTTSHR
SCHEMBL10790604 0.88 TDP1 (0.69) TDP1POLBAPEX1HTTTSHR
SCHEMBL7102222 0.87 TDP1 (0.59) TDP1POLBAPEX1HTTTSHR
SCHEMBL16978022 0.87 THRB (0.41) TDP1POLBAPEX1HTTTSHR
SCHEMBL12938684 0.87 TDP1 (0.51) TDP1POLBAPEX1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867753-B1 Organic nonlinear optical material and nonlinear optical element using the same MITSUBISHI ELECTRIC CORP (JP) 2003-04-09 EP disclosed
EP-0867753-A1 Organic nonlinear optical material and nonlinear optical element using the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1998-09-30 EP disclosed