SCHEMBL9540778

SCHEMBL9540778

COc1cc(Oc2ccc(C(=O)N(C3CCCCC3)C3CCCC3)cc2C)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 4/20 0.42
HTT P42858 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
ADAM17 P78536 1/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
SLC6A4 P31645 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL9541762 0.86 MEN1 (0.48) MEN1KMT2ATSHRHTTTDP1
SCHEMBL9542205 0.78 TSHR (0.43) MEN1KMT2ATSHRHTTTDP1
SCHEMBL9542158 0.78 MEN1 (0.49) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL9543485 0.78 NPC1 (0.56) MEN1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL9586388 0.77 MEN1 (0.47) MEN1KMT2ATSHRHTTTDP1
SCHEMBL9542288 0.76 MEN1 (0.47) MEN1KMT2ATSHRHTTSMN1; SMN2
SCHEMBL9541782 0.76 KMT2A (0.41) MEN1KMT2ATSHRHTTTDP1
SCHEMBL9542243 0.76 POLB (0.46) MEN1KMT2ATSHRSLC6A4SLC6A2
SCHEMBL9543471 0.74 MEN1 (0.42) MEN1KMT2ATSHRTDP1SMN1; SMN2
SCHEMBL9542190 0.73 MEN1 (0.44) MEN1KMT2ATSHRHTTTDP1

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
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed