SCHEMBL9828773

SCHEMBL9828773

C=CCOc1c(OC)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ABCB1 P08183 4/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
PDE4B Q07343 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.39
PKM P14618 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL9829388 0.82 ALDH1A1 (0.48) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL9829552 0.82 BPTF (0.50) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL9830623 0.79 KDM4E (0.44) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL9828798 0.78 KDM4E (0.44) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL9828028 0.77 MEN1 (0.62) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9160173 0.76 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9828334 0.76 TUBB4A (0.40) KDM4EABCB1ALDH1A1SMN1; SMN2PTGS1
SCHEMBL27317680 0.73 TPMT (0.55) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL6819281 0.73 ALDH1A1 (0.49) KDM4EABCB1ALDH1A1MEN1KMT2A
SCHEMBL9100958 0.73 NPC1 (0.48) ABCB1KMT2ASMN1; SMN2

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