SCHEMBL8979696

SCHEMBL8979696

C=C(C)C(=O)Oc1cccc(C(C)(C)c2cccc(OC(=O)C(=C)C)c2OCC(C)O)c1OCC(C)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL11214664 0.84 VDR (0.31) LMNATSHR
SCHEMBL9064851 0.84 ATM (0.40) ATMTDP1LMNAPTPN1ELANE
SCHEMBL9065256 0.84 THRB (0.38) ATMTDP1LMNAPTPN1TSHR
SCHEMBL25436245 0.82 ATM (0.40) ATMTDP1PTPN1ELANEMAPK1
SCHEMBL869200 0.81 LMNA (0.34) LMNAPTPN1MAPT
SCHEMBL9418364 0.79 CYP1A2 (0.37) ATMTDP1LMNATSHRMAPT
SCHEMBL10483956 0.79 PPARG (0.35) LMNAPTPN1ABCB1
SCHEMBL8922974 0.79 LMNA (0.37) LMNAPTPN1ELANETSHRMAPK1
SCHEMBL9336589 0.78 TDP1 (0.39) ATMTDP1ELANEMAPTMAPK1
SCHEMBL346348 0.77 ELANE (0.37) ATMTDP1LMNAELANETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132068-B2 Dental composite restorative material TOKUYAMA DENTAL CORPORATION (JP) 2015-09-15 US disclosed
US-20130096226-A1 DENTAL COMPOSITE RESTORATIVE MATERIAL TOKUYAMA DENTAL CORPORATION (JP) 2013-04-18 US disclosed
EP-0540043-B1 Cast resin for optical use NOF CORP (JP) 1996-05-15 EP disclosed
EP-0540003-B1 Cast resin for optical use NOF CORP (JP) 1996-05-08 EP disclosed
US-5340893-A Blend containing an allyl containing polyester NOF CORPORATION (JP) 1994-08-23 US disclosed
US-5336743-A Diallylphthalate component and an alkylene bis-allylcarbonate component NOF CORPORATION (JP) 1994-08-09 US disclosed
EP-0540003-A1 Cast resin for optical use NOF CORPORATION (JP) 1993-05-05 EP disclosed
EP-0540043-A1 Cast resin for optical use NOF CORPORATION (JP) 1993-05-05 EP disclosed