SCHEMBL7514064

SCHEMBL7514064

C=C(C)C(=O)CC(O)COc1ccc(-c2ccc(OCC(O)CC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11213755 0.89 MAPT (0.51) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL2420628 0.89 ALDH1A1 (0.52) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL11040659 0.88 LMNA (0.50) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL4407029 0.85 MAPT (0.48) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL244204 0.85 HTT (0.55) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL8356481 0.85 MAPT (0.46) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL11139586 0.84 FFAR1 (0.47) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL11234897 0.84 KMT2A (0.51) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL12921171 0.81 HTT (0.50) POLBMAPTLMNANPSR1SMN1; SMN2
SCHEMBL15713256 0.80 POLB (0.55) POLBMAPTLMNANPSR1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339114-B1 APPLYING LIQUID CRYSTALLINE COMPOUND TO A TOOTH IN A PATIENT'S MOUTH, AND POLYMERIZING TO FORM POLYMERIC DENTAL PRODUCT DENTSPLY DETREY GMBH (DE) 2002-01-15 US disclosed
EP-0861230-B1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INT INC (US) 2002-01-02 EP disclosed
US-5998499-A DENTAL ADHESIVE; SHRINKAGE INHIBITION DENTSPLY G.M.B.H. (DE) 1999-12-07 US disclosed
EP-0861230-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL, INC. (US) 1998-09-02 EP disclosed
WO-1997014674-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL INC. (US) 1997-04-24 WO disclosed