SCHEMBL8835993

SCHEMBL8835993

[CH2][CH]C(=O)OCCCCCOc1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
GBA1 P04062 2/20 0.57
CA12 O43570 15/20 0.57
CA9 Q16790 15/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 2/20 0.51
CA1 P00915 2/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL7917688 0.92 KMT2A (0.57) KMT2AGBA1CA12CA9POLB
SCHEMBL7907623 0.92 KMT2A (0.57) KMT2AGBA1CA12CA9POLB
SCHEMBL7915067 0.91 KMT2A (0.58) KMT2AGBA1CA12CA9POLB
SCHEMBL7907611 0.89 KMT2A (0.58) KMT2AGBA1CA12CA9POLB
SCHEMBL8834808 0.88 KMT2A (0.58) KMT2AGBA1CA12CA9POLB
SCHEMBL8835078 0.88 KMT2A (0.58) KMT2AGBA1CA12CA9POLB
SCHEMBL8835298 0.87 KMT2A (0.59) KMT2AGBA1CA12CA9POLB
SCHEMBL7917683 0.85 KMT2A (0.60) KMT2AGBA1CA12CA9POLB
SCHEMBL5831209 0.85 KMT2A (0.59) KMT2AGBA1CA12CA9POLB
SCHEMBL8834897 0.85 KMT2A (0.59) KMT2AGBA1CA12CA9POLB

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-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed