SCHEMBL8968152

SCHEMBL8968152

C=C(C)C(=O)Oc1nc2ccccc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
CNR2 P34972 1/20 0.41
ALOX15 P16050 1/20 0.40
NPC1 O15118 4/20 0.40
NQO2 P16083 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL6567448 0.82 TLR8 (0.53) TLR8RAB9AMAPTSMN1; SMN2BTK
SCHEMBL27609119 0.81 ELANE (0.41) TLR8RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6565258 0.81 TLR8 (0.51) TLR8RAB9AMAPTSMN1; SMN2BTK
SCHEMBL12458543 0.77 ELANE (0.54) RAB9AMAPTALDH1A1KDM4EHPGD
SCHEMBL180365 0.77 TLR8 (0.65) TLR8RAB9AMAPTSMN1; SMN2BTK
Acridine SCHEMBL18770814 0.76 ALDH1A1 (0.50) TLR8RAB9AMAPTSMN1; SMN2ALDH1A1
Methacrylic Acid SCHEMBL8968158 0.76 TLR8 (0.49) TLR8RAB9AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27511729 0.75 TLR8 (0.62) TLR8RAB9AMAPTSMN1; SMN2BTK
SCHEMBL2946336 0.74 RAB9A (0.36) TLR8RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8785457 0.74 KDM4C (0.45) TLR8RAB9AMAPTSMN1; 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-5482809-A ELECTROGRAPHY, POLYMERS WITH METAL CHELATING GROUPS AND CROSSLINKING GROUPS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed