SCHEMBL28548686

SCHEMBL28548686

CCCCc1cc2cc3cc(CCCC)oc3cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.46
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL21166584 0.89 TLR8 (0.42) TLR8MAPTALOX15MEN1KMT2A
SCHEMBL12277853 0.84 MAPT (0.46) TLR8MAPTALOX15MEN1KMT2A
SCHEMBL12278503 0.81 MAPT (0.46) TLR8MAPTALOX15MEN1KMT2A
SCHEMBL12370192 0.80 TLR8 (0.44) TLR8MAPTALOX15F2F10
SCHEMBL12278377 0.79 MAPT (0.51) TLR8MAPTALOX15CA12CA1
SCHEMBL29594271 0.79 LOXL2 (0.56) TLR8MAPTSMN1; SMN2
SCHEMBL1287509 0.79 LOXL2 (0.56) TLR8MAPTSMN1; SMN2
SCHEMBL284155 0.78 TLR8 (0.50) TLR8MAPTALOX15MEN1KMT2A
SCHEMBL2333763 0.78 CYP19A1 (0.47) TLR8MAPTALOX15F2F10
SCHEMBL6741629 0.78 ALOX15 (0.55) TLR8MAPTALOX15MEN1KMT2A

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
CN-112679515-A Benzofuran derivative and preparation method and application thereof 苏聪 2021-04-20 CN claimed
CN-112679515-A Benzofuran derivative and preparation method and application thereof 苏聪 2021-04-20 CN disclosed