SCHEMBL3960943

SCHEMBL3960943

O=C(O)c1ccc(O)c(OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PTGER1 P34995 2/20 0.57
HTT P42858 1/20 0.56
RXRA P19793 4/20 0.55
RXRB P28702 3/20 0.55
HPGD P15428 2/20 0.55
RXRG P48443 2/20 0.55
MRGPRX4 Q96LA9 4/20 0.55
NPC1 O15118 1/20 0.55
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55
XBP1 P17861 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL9540583 0.88 MAOB (0.60) MEN1KMT2AHTTHPGDMRGPRX4
SCHEMBL3965806 0.87 EGFR (0.64) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL29556736 0.87 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL1600077 0.87 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL22015271 0.86 LMNA (0.62) MEN1KMT2AHPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL10857748 0.85 MRGPRX4 (0.61) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL21588079 0.85 HPGD (0.68) MEN1KMT2ARXRAHPGDNPC1
SCHEMBL10604427 0.85 HPGD (0.54) NR4A2NR4A1NR4A3HPGDNPC1
SCHEMBL4876543 0.84 MEN1 (0.61) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL2634130 0.84 NR4A2 (0.63) NR4A2NR4A1NR4A3MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed