SCHEMBL9829552

SCHEMBL9829552

C=CCOc1c(I)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.41
GAA P10253 3/20 0.40
ABCB1 P08183 2/20 0.39
PKM P14618 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL7116215 0.83 BPTF (0.53) BPTFKDM4EALDH1A1MEN1KMT2A
SCHEMBL9828773 0.82 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8109869 0.82 BPTF (0.56) BPTFKDM4EALDH1A1MEN1KMT2A
SCHEMBL9830623 0.81 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9828798 0.80 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9828028 0.78 MEN1 (0.62) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9859345 0.78 ALDH1A1 (0.49) BPTFKDM4EALDH1A1MEN1KMT2A
SCHEMBL9160173 0.78 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9691993 0.78 HPGD (0.51) BPTFMEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL7116211 0.76 BPTF (0.46) BPTFKDM4EALDH1A1MEN1KMT2A

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 4 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
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 US 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