SCHEMBL9845266

SCHEMBL9845266

O=C(O)c1ccc(C(=O)O)c(COc2ccc(OCc3cc(C(=O)O)ccc3C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.56
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
PTPRC P08575 2/20 0.51
PTPN1 P18031 2/20 0.51
RXRA P19793 4/20 0.50
RXRB P28702 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
SRD5A2 P31213 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MRGPRX4 Q96LA9 4/20 0.49
PKM P14618 3/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
RXRG P48443 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL4449146 0.93 NR4A2 (0.56) NR4A2NR4A1NR4A3PTPRCPTPN1
SCHEMBL18687045 0.83 NR4A2 (0.66) NR4A2NR4A1NR4A3PTPRCPTPN1
SCHEMBL10554171 0.81 NR4A2 (0.54) NR4A2RAB9ANPC1
SCHEMBL23978033 0.78 MRGPRX4 (0.69) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL22160265 0.77 PKM (0.61) POLBPKMTP53
SCHEMBL13870464 0.77 MRGPRX4 (0.59) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL13870505 0.77 TP53 (0.48) NR4A2RAB9ANPC1POLBTP53
SCHEMBL9127513 0.77 MRGPRX4 (0.51) NR4A2PTPRCPTPN1RXRARXRB
SCHEMBL11328385 0.77 PKM (0.60) NR4A2NR4A1NR4A3SMN1; SMN2RAB9A
SCHEMBL1721145 0.77 NR4A2 (0.51) NR4A2RAB9ANPC1MRGPRX4TP53

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-0409465-A2 Preparation process of polyimide film MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-01-23 EP disclosed