SCHEMBL8088486

SCHEMBL8088486

COC(=O)c1ccc2c(c1)C(Oc1ccccn1)C(O)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.42
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KCNA5 P22460 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TRPA1 O75762 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8085199 0.81 ABCC9 (0.42) ABCC9NPC1RAB9A
SCHEMBL7333922 0.81 ABCC9 (0.40) ABCC9
SCHEMBL7331673 0.80 ABCC9 (0.39) ABCC9KDM4E
SCHEMBL8085013 0.80 ABCC9 (0.41) ABCC9HTTPKMKDM4EMAPT
SCHEMBL7274240 0.79 ABCC9 (0.62) ABCC9ALOX15KDM4E
SCHEMBL9589058 0.77 ABCC9 (0.48) ABCC9
SCHEMBL9589053 0.77 ABCC9 (0.48) ABCC9
SCHEMBL9589063 0.77 ABCC9 (0.48) ABCC9
SCHEMBL9524371 0.72 KDM4E (0.42) ALOX5ALOX15HTTPKMKDM4E
SCHEMBL10956358 0.71 ALOX5 (0.45) ABCC9ALOX5TRPA1NPC1RAB9A

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed