SCHEMBL10693099

SCHEMBL10693099

CCCCCCCCn1c(CC)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.50
CNR2 P34972 6/20 0.45
TP53 P04637 2/20 0.45
OXER1 Q8TDS5 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 2/20 0.43

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
SCHEMBL10412903 1.00 TLR8 (0.50) TLR8CNR2TP53OXER1MAPT
SCHEMBL8426489 1.00 TLR8 (0.50) TLR8CNR2TP53OXER1MAPT
SCHEMBL21278119 0.98 TLR8 (0.49) TLR8CNR2TP53OXER1CNR1
SCHEMBL10413631 0.89 TLR8 (0.49) TLR8CNR2TP53OXER1
SCHEMBL3847993 0.87 OXER1 (0.51) TLR8CNR2TP53OXER1CNR1
SCHEMBL6211295 0.86 CNR2 (0.47) TLR8CNR2TP53OXER1CNR1
SCHEMBL10413247 0.82 MEN1 (0.56) TLR8CNR2TP53MAPTSMN1; SMN2
SCHEMBL11153101 0.82 MEN1 (0.56) TLR8CNR2TP53MAPTSMN1; SMN2
SCHEMBL11607923 0.82 MEN1 (0.56) TLR8CNR2TP53MAPTSMN1; SMN2
SCHEMBL4212491 0.82 MEN1 (0.56) TLR8CNR2TP53MAPTSMN1; 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
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed