SCHEMBL3965806

SCHEMBL3965806

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.64
SRC P12931 1/20 0.61
TTR P02766 1/20 0.59
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
RXRA P19793 3/20 0.55
RXRB P28702 2/20 0.55
HPGD P15428 2/20 0.55
RXRG P48443 1/20 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

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
SCHEMBL1545310 0.88 EGFR (0.64) EGFRSRCMEN1KMT2ARXRA
SCHEMBL29803481 0.88 EGFR (0.64) EGFRSRCMEN1KMT2ARXRA
SCHEMBL3960943 0.87 NR4A2 (0.58) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL1600077 0.87 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL29556736 0.87 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL3960881 0.86 LMNA (0.62) EGFRSRCMEN1KMT2AHPGD
SCHEMBL9597523 0.86 MRGPRX4 (0.58) EGFRSRCTTRMEN1KMT2A
Hydrochloric Acid SCHEMBL10857748 0.85 MRGPRX4 (0.61) NR4A2NR4A1NR4A3MEN1KMT2A
SCHEMBL6811499 0.85 SMN1; SMN2 (0.73) EGFRSRCMEN1KMT2ARXRA
SCHEMBL10604837 0.85 EGFR (0.65) EGFRSRCNR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124573-A Novel cytotoxic molecules for use in cell binding molecule-drug conjugates 杭州多禧生物科技有限公司 2022-09-30 CN disclosed
CN-107074879-B Novel cytotoxic molecules for use in cell binding molecule-drug conjugates 杭州多禧生物科技有限公司 2022-04-15 CN disclosed
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