SCHEMBL18704229

SCHEMBL18704229

Brc1noc(COC2CCCCO2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30

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
SCHEMBL18704165 0.72 KDM4C (0.40) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL9923393 0.71 KDM4C (0.37) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL19715580 0.70 KDM4C (0.41) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL25228564 0.69 KDM4C (0.43) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL3889222 0.69 KDM4C (0.46) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL30486438 0.69 KDM4C (0.43) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL24006607 0.69 KDM4C (0.41) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL21157983 0.69 KDM4C (0.41) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL22275457 0.69 KDM4C (0.41) KDM4CL3MBTL1RAB9ANPC1MEN1
SCHEMBL2884836 0.68 ICAM1 (0.42) KDM4CL3MBTL1RAB9ANPC1MEN1

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
WO-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 — — WO disclosed
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