SCHEMBL6668640

SCHEMBL6668640

C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
APEX1 P27695 1/20 0.56
TSHR P16473 2/20 0.50
ELANE P08246 1/20 0.44
KMT2A Q03164 5/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL29981767 0.90 HTT (0.68) POLBHTTTDP1APEX1TSHR
SCHEMBL31265922 0.90 HTT (0.68) POLBHTTTDP1APEX1TSHR
SCHEMBL15084281 0.90 HTT (0.68) POLBHTTTDP1APEX1TSHR
SCHEMBL15500114 0.90 HTT (0.51) POLBHTTTDP1APEX1TSHR
SCHEMBL16806094 0.89 POLB (0.45) POLBHTTTDP1APEX1TSHR
SCHEMBL65218 0.88 POLB (0.51) POLBHTTTDP1APEX1ELANE
SCHEMBL30971 0.87 ELANE (0.56) POLBHTTTDP1TSHRELANE
SCHEMBL14173071 0.87 ELANE (0.56) POLBHTTTDP1TSHRELANE
SCHEMBL346370 0.86 POLB (0.62) POLBHTTTDP1APEX1TSHR
SCHEMBL6469976 0.85 ELANE (0.42) POLBHTTTDP1APEX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458329-A1 LOW SHRINKAGE DENTAL COMPOSITE Bisco, Inc. (US) 2004-09-22 EP disclosed
US-6709271-B2 SPHERICAL FILLER PORTION TO REDUCE SHRINKAGE AFTER IRRADIATION POLYMERIZATION BISCO, INC. 2004-03-23 US disclosed
US-20030175660-A1 Low shrinkage dental composite BISCO, INC. 2003-09-18 US disclosed
WO-2003043589-A1 LOW SHRINKAGE DENTAL COMPOSITE BISCO, INC. (US) 2003-05-30 WO disclosed