SCHEMBL8332709

SCHEMBL8332709

C=CCOc1ccc2cc(C(=O)Oc3ccc(OCC)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
PARP10 Q53GL7 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL23386424 0.89 MAPT (0.49) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8328700 0.88 L3MBTL1 (0.56) NPC1SMN1; SMN2KMT2ALMNACCNC
SCHEMBL8329494 0.88 KMT2A (0.50) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8328036 0.85 L3MBTL1 (0.53) NPC1SMN1; SMN2KMT2ALMNA
SCHEMBL8331355 0.84 L3MBTL1 (0.52) MAPTNPC1POLBSMN1; SMN2KMT2A
SCHEMBL10958710 0.83 MAPT (0.48) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL26041373 0.82 CA1 (0.49) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7619158 0.82 NPC1 (0.52) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8026374 0.82 NPC1 (0.52) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL15672803 0.81 HGFAC (0.59) MAPTPOLBRAB9AKMT2ALMNA

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-5900145-A CROSSLINKED POLYSILOXANE LAYER HAVING AN AROMATIC LIQUID CRYSTAL SIDECHAIN INCLUDING A 2,6-NAPHTHALENE OR 4,4'-DIPHENYLENE GROUP; SEPARATION OF ISOMERS OF AROMATIC HYDROCARBONS, HALOGENATED AROMATIC TOXIC HYDROCARBONS J & K ENVIRONMENTAL LTD. (CA) 1999-05-04 US disclosed