SCHEMBL4413104

SCHEMBL4413104

O=C1c2ccccc2C(=O)N1CCOc1cccc(C=CC2(O)CCCCC2I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4168767 0.84 RAB9A (0.55) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL4168775 0.84 RAB9A (0.55) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL10291506 0.73 RAB9A (0.57) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL4569056 0.73 RAB9A (0.57) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL2209008 0.73 RAB9A (0.57) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL2208841 0.73 RAB9A (0.57) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL2207764 0.71 RAB9A (0.61) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL2208993 0.70 RAB9A (0.60) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL2207552 0.70 RAB9A (0.60) RAB9AKMT2ATDP1L3MBTL1MEN1
SCHEMBL4569044 0.70 RAB9A (0.60) RAB9AKMT2ATDP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed