SCHEMBL3843540

SCHEMBL3843540

O=C(O)NCCOc1cccc(C#CCC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 8/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL237597 0.86 HAO1 (0.46) HAO1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3861244 0.84 NPC1 (0.51) HAO1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3863260 0.83 NPC1 (0.53) HAO1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3859644 0.81 MTNR1A (0.55) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL234125 0.80 HAO1 (0.49) HAO1NPC1RAB9AL3MBTL1
SCHEMBL5005087 0.76 NPC1 (0.64) HAO1NPC1RAB9AL3MBTL1
SCHEMBL3868364 0.75 HAO1 (0.48) HAO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3863929 0.74 HAO1 (0.52) HAO1NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL3863779 0.74 MTNR1A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1710533 0.73 RAB9A (0.49) NPC1RAB9ASMN1; SMN2PKMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed