SCHEMBL9830623

SCHEMBL9830623

C=CCOc1c(OC)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
DBH P09172 1/20 0.43
TPMT P51580 1/20 0.42
ABCB1 P08183 3/20 0.42
ABCC1 P33527 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KRAS P01116 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL8109202 0.88 TPMT (0.52) KDM4EDBHTPMTABCB1ABCC1
SCHEMBL8109799 0.83 TPMT (0.47) KDM4EDBHTPMTABCB1ABCC1
SCHEMBL9829552 0.81 BPTF (0.50) KDM4EABCB1MEN1KMT2AHTT
SCHEMBL9828773 0.79 KDM4E (0.46) KDM4EABCB1MEN1KMT2AALDH1A1
SCHEMBL9829135 0.78 TUBB4A (0.39) DBHMEN1KMT2ATUBB4ATUBB
SCHEMBL9828901 0.77 ALDH1A1 (0.47) KDM4EMEN1KMT2AHTTTUBB4A
SCHEMBL9828798 0.76 KDM4E (0.44) KDM4EABCB1MEN1KMT2AALDH1A1
SCHEMBL1447632 0.76 TPMT (0.51) KDM4EDBHTPMTABCB1ABCC1
SCHEMBL8729017 0.75 TPMT (0.54) KDM4EDBHTPMTABCB1ABCC1
SCHEMBL9828028 0.75 MEN1 (0.62) KDM4ETPMTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed