SCHEMBL7583557

SCHEMBL7583557

CC(C)[Si](Sc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NOS3 P29474 1/20 0.32
POLB P06746 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
SCHEMBL8415993 0.82 TAAR1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7580846 0.82 TAAR1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL83319 0.80 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL84222 0.80 TAAR1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8165766 0.78 MAPT (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8164187 0.78 MAPT (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6967654 0.78 TAAR1 (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6980670 0.77 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8164932 0.77 NPC1 (0.37) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8164935 0.77 NPC1 (0.37) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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-0939755-B1 OXAZOLINE ARTHROPODICIDES PURDUE RESEARCH FOUNDATION (US) 2002-10-09 EP disclosed
US-6107319-A PESTICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US disclosed