SCHEMBL9944054

SCHEMBL9944054

O=C(O)c1ccc2cc(OC(=O)c3ccc4cc(O)ccc4c3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.59
ESR1 P03372 7/20 0.59
MEN1 O00255 8/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ESR2 Q92731 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
HGFAC Q04756 2/20 0.47
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
TMPRSS2 O15393 1/20 0.45
MLNR O43193 1/20 0.45

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
SCHEMBL12859553 0.93 KMT2A (0.66) KMT2AESR1MEN1CASP3SENP8
SCHEMBL23386312 0.93 KMT2A (0.66) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5082552 0.92 KMT2A (0.51) KMT2AESR1MEN1CASP3SENP8
SCHEMBL4132871 0.92 KMT2A (0.54) KMT2AESR1MEN1CASP3SENP8
SCHEMBL9793342 0.92 KMT2A (0.60) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5698842 0.92 KDM4E (0.65) KMT2AESR1MEN1CASP3SENP8
SCHEMBL4138214 0.90 KMT2A (0.54) KMT2AESR1MEN1CASP3SENP8
SCHEMBL4124502 0.89 KMT2A (0.57) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5079569 0.89 CA1 (0.53) KMT2AESR1MEN1CASP3SENP8
SCHEMBL23386313 0.89 KMT2A (0.61) KMT2AESR1MEN1CASP3SENP8

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
EP-2465889-A1 LIQUID CRYSTALLINE POLYESTER AND PROCESS FOR PRODUCING SAME Toray Industries, Inc. (JP) 2012-06-20 EP disclosed