SCHEMBL28341869

SCHEMBL28341869

COc1ccc(C=CC(=O)N2CCOC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.62
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
PKM P14618 1/20 0.61
PTGS2 P35354 1/20 0.60
ALDH1A1 P00352 2/20 0.58
TRPV1 Q8NER1 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL28341866 1.00 GPR183 (0.62) GPR183RAB9ANPC1PKMPTGS2
SCHEMBL14375112 0.92 RAB9A (0.70) GPR183RAB9ANPC1PKMPTGS2
SCHEMBL28339476 0.85 RAB9A (0.65) RAB9ANPC1ALDH1A1TRPV1L3MBTL1
SCHEMBL28339475 0.85 RAB9A (0.65) RAB9ANPC1ALDH1A1TRPV1L3MBTL1
SCHEMBL30738392 0.85 RAB9A (0.65) RAB9ANPC1ALDH1A1TRPV1L3MBTL1
SCHEMBL28339473 0.85 MAPT (0.64) GPR183RAB9ANPC1ALDH1A1TRPV1
SCHEMBL28339474 0.85 MAPT (0.64) GPR183RAB9ANPC1ALDH1A1TRPV1
SCHEMBL28341788 0.84 RAB9A (0.68) GPR183RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL28341787 0.84 RAB9A (0.68) GPR183RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL14441226 0.83 PTGS2 (0.62) GPR183RAB9ANPC1PKMPTGS2

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