SCHEMBL10145047

SCHEMBL10145047

COCOc1ccc(C2OCC(C)(C)CO2)cc1C(O)(c1cccc(OCCO[Si](C)(C)C(C)(C)C)c1)c1cc(C2OCC(C)(C)CO2)ccc1OCOC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10330563 0.98 FFAR1 (0.30) FFAR1PPARGPPARD
SCHEMBL10145020 0.91 NPC1 (0.34) FFAR1PPARGPPARDNPC1RAB9A
SCHEMBL10106371 0.89 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL10330562 0.88 NR3C1 (0.33) FFAR1PPARGPPARDNPC1RAB9A
SCHEMBL10145008 0.88 NPC1 (0.30) NPC1RAB9ASMN1; SMN2
SCHEMBL10330559 0.87
SCHEMBL10106435 0.86 CHRNB2 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL10145164 0.85 NTSR1 (0.32)
SCHEMBL10145176 0.84
SCHEMBL10330583 0.83 NTSR1 (0.31)

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-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed