SCHEMBL6397166

SCHEMBL6397166

CCCCCCCCOc1ccc(OB(O)Oc2ccc(OCCCCCCCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.65
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
LTA4H P09960 4/20 0.56
PLA2G4B P0C869 5/20 0.56
RARB P10826 3/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PLA2G4A P47712 1/20 0.50

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
SCHEMBL6397957 0.94 LTA4H (0.55) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL29658410 0.89 NR5A1 (0.65) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL6399200 0.89 NR5A1 (0.65) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL29261748 0.87 NR5A1 (0.61) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL6398893 0.85 NR5A1 (0.63) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL11095674 0.84 NR5A1 (0.79) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL5473083 0.84 NR5A1 (0.79) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL8936597 0.84 NR5A1 (0.79) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL2829024 0.84 NR5A1 (0.79) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL1573968 0.84 NR5A1 (0.79) NR5A1TP53TSHRLTA4HPLA2G4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454921-B1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE TOKUYAMA CORP (JP) 2021-07-28 EP disclosed
US-20050009946-A1 Radical polymerization catalyst and adhesive kit for dental use TOKUYAMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1454921-A1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE Tokuyama Corporation (JP) 2004-09-08 EP disclosed