SCHEMBL10692972

SCHEMBL10692972

CCCCCc1cnc(-c2ccc(OCc3ccc(OCC)cc3)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.65
MAPT P10636 7/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
RARB P10826 1/20 0.54
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NPC1 O15118 6/20 0.50
HRH3 Q9Y5N1 2/20 0.48
STAT3 P40763 1/20 0.46

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
SCHEMBL10689452 0.99 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10688526 0.99 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10691554 0.99 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10693734 0.99 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10691440 0.96 RAB9A (0.59) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10695517 0.94 RAB9A (0.61) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9347849 0.93 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9436296 0.93 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10692467 0.93 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9351433 0.93 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2KDM4E

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
US-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 US disclosed