SCHEMBL9828028

SCHEMBL9828028

COc1cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.57
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53

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
SCHEMBL6822746 0.93 MAPK1 (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10790468 0.91 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10789209 0.90 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7837299 0.90 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL9284598 0.89 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL9829605 0.88 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7046987 0.88 ALDH1A1 (0.72) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7835759 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL3137049 0.87 THRA (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL25238149 0.86 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196834-A1 Method and system for the generation of large double stranded DNA fragments WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-08-23 US disclosed
EP-0199324-B1 NEW 2,5-DIARYL TETRYHYDROFURANS AND ANALOGS THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1991-10-02 EP disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed
EP-0154887-B1 NEW 2,5-DIARYL TETRAHYDROTHIOPHENES AND ANALOGS THEREOF AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-01-25 EP disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed