SCHEMBL6403177

SCHEMBL6403177

CCCCOc1cccc(OB(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.50
TSHR P16473 1/20 0.50
SMPD1 P17405 3/20 0.49
LTA4H P09960 2/20 0.49
THRB P10828 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.45

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
SCHEMBL6404654 0.93 TSHR (0.59) PLA2G4BTSHRSMPD1LTA4HTHRB
SCHEMBL7222529 0.91 KMT2A (0.54) PLA2G4BTSHRSMPD1LTA4HGPBAR1
SCHEMBL6398498 0.90 PLA2G4B (0.50) PLA2G4BTSHRSMPD1LTA4HTHRB
SCHEMBL6396350 0.86 TSHR (0.53) PLA2G4BTSHRSMPD1LTA4HTHRB
SCHEMBL7221364 0.85 ALDH1A1 (0.48) TSHRSMPD1KMT2A
SCHEMBL4397448 0.85 TSHR (0.63) PLA2G4BTSHRSMPD1LTA4HTHRB
SCHEMBL27882949 0.84 PLA2G4B (0.46) PLA2G4BTSHRSMPD1LTA4HTHRB
SCHEMBL7931734 0.84 TP53 (0.53) TSHRLTA4HTHRBCYP1A2CYP2C19
SCHEMBL2772370 0.83 LTA4H (0.55) PLA2G4BTSHRLTA4HCYP1A2
SCHEMBL6403288 0.83 TSHR (0.59) PLA2G4BTSHRSMPD1LTA4HTHRB

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