SCHEMBL28339476

SCHEMBL28339476

COc1cccc(C=CC(=O)N2CCOC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.65
POLB P06746 1/20 0.65
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
FOS P01100 1/20 0.51
JUN P05412 1/20 0.51
BCHE P06276 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL30738392 1.00 RAB9A (0.65) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL28339475 1.00 RAB9A (0.65) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL28339464 0.87 KMT2A (0.86) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL28339462 0.87 KMT2A (0.86) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL30738509 0.87 KMT2A (0.86) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL28341869 0.85 GPR183 (0.62) RAB9ANPC1TRPV1ALDH1A1L3MBTL1
SCHEMBL28341866 0.85 GPR183 (0.62) RAB9ANPC1TRPV1ALDH1A1L3MBTL1
SCHEMBL11467113 0.84 ACHE (0.57) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL11467112 0.84 ACHE (0.57) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL3115230 0.82 KMT2A (0.64) RAB9AMEN1KMT2ANPC1POLB

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
CN-110483432-A A kind of acrylic compounds and preparation method thereof, pharmaceutical composition and purposes UNIV FUDAN 2019-11-22 CN disclosed