SCHEMBL7543616

SCHEMBL7543616

Cc1c(CCCCCO)c(O)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 3/20 0.42
RAD52 P43351 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
LMNA P02545 2/20 0.41
PDE5A O76074 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL7549060 0.94 TSHR (0.44) TLR8TSHRPOLBRAD52TLR7
SCHEMBL7548623 0.89 TLR8 (0.55) TLR8TSHRTLR7LMNAALDH1A1
SCHEMBL7546965 0.89 TLR8 (0.55) TLR8TSHRTLR7LMNAALDH1A1
SCHEMBL7550363 0.89 TLR8 (0.55) TLR8TSHRTLR7LMNAALDH1A1
SCHEMBL7544738 0.89 TLR8 (0.55) TLR8TSHRTLR7LMNAALDH1A1
SCHEMBL7550406 0.89 TLR8 (0.55) TLR8TSHRTLR7LMNAALDH1A1
SCHEMBL7544070 0.88 TLR8 (0.54) TLR8TSHRPOLBTLR7LMNA
SCHEMBL7546417 0.86 ALDH1A1 (0.51) TLR8TSHRPOLBLMNAALDH1A1
SCHEMBL7543049 0.84 TLR8 (0.41) TLR8TSHRLMNAALDH1A1USP2
SCHEMBL7542516 0.82 NCF1 (0.41) TLR8TSHRPOLBLMNAALDH1A1

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
WO-2002046163-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTI-EPILEPTICS WACKERNAGEL MICHAEL (DE) 2002-06-13 WO disclosed