SCHEMBL10693734

SCHEMBL10693734

CCCCCCCCCCc1cnc(-c2ccc(OCc3ccc(OCC)cc3)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
MAPT P10636 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
USP2 O75604 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
RARB P10826 1/20 0.56
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 6/20 0.49
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL10691554 1.00 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10688526 1.00 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10689452 1.00 RAB9A (0.64) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10692972 0.99 RAB9A (0.65) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10692467 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9436296 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9351433 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10690195 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10692843 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9347849 0.95 RAB9A (0.63) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1

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