SCHEMBL8173102

SCHEMBL8173102

CCOC(=O)/C=C/CN(C/C=C/C1OC(C)O1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 5/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL29849080 0.87 MAPT (0.51) MAPTL3MBTL1RAB9AALDH1A1POLB
SCHEMBL22164501 0.82 MAPT (0.47) MAPTL3MBTL1RAB9AALDH1A1POLB
SCHEMBL22164503 0.82 MAPT (0.47) MAPTL3MBTL1RAB9AALDH1A1POLB
SCHEMBL22165582 0.79 MAPT (0.46) MAPTL3MBTL1RAB9AALDH1A1POLB
SCHEMBL22165581 0.79 MAPT (0.46) MAPTL3MBTL1RAB9AALDH1A1POLB
SCHEMBL8171111 0.78 MAPT (0.43) MAPTL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL27311606 0.74 RAB9A (0.44) MAPTRAB9APOLBTDP1MEN1
SCHEMBL19856430 0.73 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL18655432 0.73 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL17153016 0.72 MAPT (0.41) MAPTL3MBTL1RAB9AALDH1A1POLB

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-2008088690-A2 A PROCESS FOR PREPARING DIAZABICYCLO[3.3.1] NONANE COMPOUNDS MERCK & CO., INC. (US) 2008-07-24 WO disclosed