SCHEMBL21291882

SCHEMBL21291882

CCCCc1cc(CCCCCCCCCCC(=O)O)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LTB4R Q15722 6/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
OXER1 Q8TDS5 4/20 0.40
CNR2 P34972 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
SCHEMBL21192206 0.92 HTT (0.39) MAPTRXFP1CYSLTR2CYSLTR1OXER1
SCHEMBL26658016 0.90 NPC1 (0.42) MAPT
SCHEMBL26658081 0.90 NPC1 (0.42) MAPT
SCHEMBL26657998 0.90 NPC1 (0.42) MAPT
SCHEMBL26658002 0.90 NPC1 (0.42) MAPT
SCHEMBL30968393 0.89 NPC1 (0.43) MAPT
SCHEMBL11088731 0.89 NPC1 (0.43) MAPT
SCHEMBL7577937 0.89 NPC1 (0.43) MAPT
SCHEMBL30573270 0.89 NPC1 (0.43) MAPT
SCHEMBL26658084 0.89 NPC1 (0.43) MAPT

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
EP-3530676-B1 COMPOSITION FOR OPTICAL THREE-DIMENSIONAL MODELING KURARAY NORITAKE DENTAL INC (JP) 2024-08-14 EP disclosed
EP-3530676-A1 COMPOSITION FOR OPTICAL THREE-DIMENSIONAL MODELING Kuraray Noritake Dental Inc. (JP) 2019-08-28 EP disclosed