SCHEMBL28643452

SCHEMBL28643452

OCCCCCCOC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
KDM4C Q9H3R0 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 2/20 0.32
MAPT P10636 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
SCHEMBL28662819 1.00 KMT2A (0.50) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL75768 0.98 KMT2A (0.48) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL8854257 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL18364935 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL9527531 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL7057539 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL2913896 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL15151056 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL6906651 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1
SCHEMBL8498418 0.96 KMT2A (0.54) KMT2AMEN1KDM4CPOLBALDH1A1

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-113544188-B Polycarbonate diol 旭化成株式会社 2024-02-27 CN disclosed
CN-113544188-A Polycarbonate diol 旭化成株式会社 2021-10-22 CN disclosed