SCHEMBL9712487

SCHEMBL9712487

OC/C=C/C=C/c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.35
MGLL Q99685 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TNK2 Q07912 3/20 0.34
DHFR P00374 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.32
PDE4B Q07343 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7272729 0.91 MEN1 (0.39) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL7272735 0.91 MEN1 (0.39) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL3329236 0.85 APP (0.43) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL7284022 0.83 MEN1 (0.38) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL7285049 0.81 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL7285052 0.81 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AHSD11B1
SCHEMBL7281392 0.78 MGLL (0.43) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL1070597 0.78 MEN1 (0.51) MEN1KMT2AHPGD
SCHEMBL1070599 0.78 MEN1 (0.51) MEN1KMT2AHPGD
SCHEMBL3500438 0.77 TNK2 (0.44) MEN1KMT2ANPC1RAB9AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed