SCHEMBL8104407

SCHEMBL8104407

CC(C)(C)OC(=O)C=Cc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
NPC1 O15118 2/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HCAR2 Q8TDS4 1/20 0.57
POLB P06746 12/20 0.56
L3MBTL1 Q9Y468 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CACNA1B Q00975 2/20 0.52
APBA1 Q02410 2/20 0.52
BLM P54132 2/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 6/20 0.50
PKM P14618 2/20 0.50
APEX1 P27695 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MASP2 O00187 1/20 0.49

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
Lithium SCHEMBL30279498 0.83 MAPT (0.62) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL1286940 0.81 POLB (0.67) MAPTNPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1286936 0.81 POLB (0.67) MAPTNPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL7141083 0.81 HCAR2 (0.67) MAPTNPC1HTTRAB9AHCAR2
SCHEMBL7141082 0.81 HCAR2 (0.67) MAPTNPC1HTTRAB9AHCAR2
SCHEMBL11397919 0.80 L3MBTL1 (0.63) MAPTHCAR2POLBL3MBTL1ALDH1A1
SCHEMBL1408805 0.80 HCAR2 (0.65) MAPTNPC1HTTRAB9AHCAR2
SCHEMBL7138125 0.79 POLB (0.60) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL7138121 0.79 POLB (0.60) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL7140021 0.79 POLB (0.51) MAPTNPC1HTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513188-B Coelenterazine analogs 普洛麦格公司 2024-01-26 CN disclosed
CN-113480545-A Imidazopyrazinone compound and preparation method and application thereof 山东大学 2021-10-08 CN disclosed
EP-0736031-B1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY INTERNATIONAL (GB) 2000-05-03 EP disclosed
US-6037498-A Chiral syntheses OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 2000-03-14 US disclosed
EP-0736031-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY LIMITED (GB) 1996-10-09 EP disclosed
WO-1995018134-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 WO disclosed