SCHEMBL28602500

SCHEMBL28602500

COc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1OC.[Pt]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
KMT2A Q03164 8/20 0.68
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPK1 P28482 1/20 0.62
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA4 P22748 1/20 0.58

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
SCHEMBL17933739 0.98 MAPT (0.70) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL28518633 0.90 KMT2A (0.69) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13963809 0.87 KMT2A (0.80) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14981331 0.86 KMT2A (0.61) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10436239 0.85 KMT2A (0.60) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17304613 0.85 KMT2A (0.77) MAPTKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL18121567 0.83 KMT2A (0.60) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13561170 0.83 KMT2A (0.60) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17933731 0.82 KMT2A (0.56) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17301260 0.82 KMT2A (0.64) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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
CN-112961190-A Veratric acid tetravalent platinum and preparation method and application thereof 山东省第二人民医院(山东省耳鼻喉医院、山东省耳鼻喉研究所) 2021-06-15 CN claimed
CN-112961190-A Veratric acid tetravalent platinum and preparation method and application thereof 山东省第二人民医院(山东省耳鼻喉医院、山东省耳鼻喉研究所) 2021-06-15 CN disclosed