SCHEMBL9724468

SCHEMBL9724468

COc1cc2cc[nH]c2cc1O.Cc1cc2cc(O)c(O)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
AXL P30530 1/20 0.41
BACE1 P56817 2/20 0.40
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 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
SCHEMBL7043689 0.85 AXL (0.49) AXLMAPTPOLBMEN1KMT2A
SCHEMBL1545052 0.85 TLR8 (0.54) TLR8TLR7BACE1MAPTAPP
SCHEMBL1959555 0.82 POLB (0.50) TLR8TLR7BACE1MAPTAPP
SCHEMBL10438327 0.77 GPR35 (0.58) BACE1MAPTPOLBMEN1KMT2A
SCHEMBL4420798 0.76 CYP2A6 (0.46) AXLPOLBMEN1KMT2AMAPK1
SCHEMBL8729103 0.75 GPR35 (0.50) AXLMAPTKDM4EALDH1A1CA12
SCHEMBL29638854 0.75 GPR35 (0.50) AXLMAPTKDM4EALDH1A1CA12
SCHEMBL366714 0.75 GPR35 (0.50) AXLMAPTKDM4EALDH1A1CA12
Bromide SCHEMBL8431246 0.74 GPR35 (0.48) AXLMAPTKDM4EALDH1A1CA12
SCHEMBL31375351 0.73 TYR (0.58) POLBMEN1KMT2AMAPK1GAA

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-5167669-A Hair dyes L'OREAL (FR) 1992-12-01 US disclosed