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SCHEMBL6470938

SCHEMBL6470938

C[Si](C)(C)CCCCCCCCCCOc1cnc(-c2ccc(OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ RARB P10826 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL6970696 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7089034 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7064581 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7091331 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7088434 0.82 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8428808 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8544506 0.81 PREP (0.34) —
SCHEMBL8540407 0.80 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8544770 0.80 MEN1 (0.39) NPC1RAB9A
SCHEMBL6966971 0.80 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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-20050189514-A1 Liquid crystal materials having silyl tail groups DISPLAYTECH, INC. 2005-09-01 — — US disclosed