SCHEMBL28236158

SCHEMBL28236158

O=C(O)c1ccccc1C(=O)OC1(CO)CCC(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.38
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
AKR1C3 P42330 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL87785 0.80 KMT2A (0.33) CYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL7557008 0.78 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2CHRNB2CHRNA4L3MBTL1
Phthalic Acid SCHEMBL25198320 0.77 ALDH1A1 (0.58) TDP1PTPN1ALDH1A1ALOX15KDM4E
Phthalic Acid SCHEMBL30288551 0.77 ALDH1A1 (0.58) TDP1PTPN1ALDH1A1ALOX15KDM4E
Phthalic Acid SCHEMBL29240013 0.74 ALDH1A1 (0.54) TDP1PTPN1ALDH1A1ALOX15KDM4E
SCHEMBL24707014 0.71 TDP1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL6399681 0.70 TDP1 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL374008 0.70 LMNA (0.47) TDP1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL4580415 0.69 ALDH1A1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL6405720 0.69 TDP1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19TDP1

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
CN-105102522-B Use of organic oxoimides as flame retardants for plastics, flame-retardant plastic compositions and moldings produced therefrom 弗劳恩霍弗应用研究促进协会 2018-08-17 CN claimed