SCHEMBL8955466

SCHEMBL8955466

CCOC(=O)c1cccc(Oc2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ESR1 P03372 3/20 0.56
ESR2 Q92731 3/20 0.56
F10 P00742 2/20 0.54
F2 P00734 1/20 0.54
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ICAM1 P05362 1/20 0.48
SELE P16581 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL9152540 0.90 CA12 (0.58) MEN1MAPTKMT2AESR1ESR2
SCHEMBL9938318 0.88 MEN1 (0.70) MEN1MAPTKMT2AF10F2
SCHEMBL149288 0.87 CA12 (0.67) ESR1ESR2CA12CA1CA2
SCHEMBL29890037 0.87 CA12 (0.67) ESR1ESR2CA12CA1CA2
SCHEMBL9937715 0.86 TDP1 (0.63) MEN1MAPTKMT2AF10F2
SCHEMBL8737053 0.85 MEN1 (0.60) MEN1MAPTKMT2AF10F2
SCHEMBL9938937 0.85 SMN1; SMN2 (0.59) MEN1MAPTKMT2AESR1ESR2
SCHEMBL930833 0.84 MEN1 (0.62) MEN1MAPTKMT2AF10F2
SCHEMBL3510175 0.83 ESR1 (0.65) MEN1KMT2AESR1ESR2L3MBTL1
SCHEMBL6829100 0.82 LMNA (0.59) MEN1MAPTKMT2AF10F2

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
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed