SCHEMBL13880845

SCHEMBL13880845

CC/C=C/Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PGR P06401 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
SCHEMBL13257963 0.83 NPC1 (0.54) RECQLMAPTHTTGAADHODH
SCHEMBL17762990 0.81 HTT (0.44) RECQLMAPTHTTGAADHODH
SCHEMBL9315559 0.79 GAA (0.53) RECQLMAPTHTTGAADHODH
SCHEMBL20197190 0.79 NPC1 (0.50) RECQLMAPTHTTGAADHODH
SCHEMBL18799832 0.79 NPC1 (0.50) RECQLMAPTHTTGAADHODH
SCHEMBL3432490 0.77 KDM4E (0.45) MAPTGAADHODHRAB9ANPC1
SCHEMBL3432487 0.77 KDM4E (0.45) MAPTGAADHODHRAB9ANPC1
SCHEMBL21164058 0.76 RAB9A (0.48) MAPTHTTRAB9ANPC1HPGD
SCHEMBL12319819 0.75 NPC1 (0.47) RECQLMAPTHTTGAADHODH
SCHEMBL18922040 0.75 NPC1 (0.47) RECQLMAPTHTTGAADHODH

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
EP-1423137-B1 LIPOPEPTIDE STEREOISOMERS, METHODS FOR PREPARING SAME, AND USEFUL INTERMEDIATES CUBIST PHARM INC (US) 2009-04-29 — — EP disclosed
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