SCHEMBL3440798

SCHEMBL3440798

C=CC(=O)Oc1ccc(C(CC)c2ccc(OC(=O)C=C)cc2OCC)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.46
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.37
THRA P10827 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACACB O00763 1/20 0.36
HIF1A Q16665 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL27945548 0.91 THRB (0.46) THRBKDM4EAKR1C3KMT2AELANE
SCHEMBL10630805 0.89 THRB (0.41) THRBESR1ESR2AKR1C3AKR1C2
SCHEMBL28563446 0.86 KDM4E (0.40) THRBKDM4EAKR1C3AKR1C2KMT2A
SCHEMBL27432689 0.84 THRB (0.51) THRBKDM4EESR1ESR2KMT2A
SCHEMBL10628860 0.84 THRB (0.37) THRBKDM4EAKR1C3AKR1C2KMT2A
SCHEMBL11389895 0.83 KDM4E (0.53) THRBKDM4EESR1ESR2KMT2A
SCHEMBL10870938 0.82 THRB (0.50) THRBKDM4EESR1ESR2KMT2A
SCHEMBL7576563 0.82 ELANE (0.43) KDM4EESR1ESR2AKR1C3AKR1C2
SCHEMBL27969168 0.81 THRB (0.49) THRBKDM4EESR1ESR2KMT2A
SCHEMBL10867144 0.81 ALDH1A1 (0.53) THRBKDM4EESR1ESR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105137508-B Compound, optical material and optical element used for optical elements 佳能株式会社 2019-11-08 CN disclosed
CN-110023320-A Dental composition 登特斯普伊德特雷有限公司 2019-07-16 CN disclosed
CN-109996526-A Direct dental filled compositions 登特斯普伊德特雷有限公司 2019-07-09 CN disclosed
CN-109803629-A Dental composition 登特斯普伊德特雷有限公司 2019-05-24 CN disclosed
CN-109790245-A Method for preparing dental resin modified glass ionomer compositions 登特斯普伊德特雷有限公司 2019-05-21 CN disclosed
CN-109310581-A Dental composition comprising a dental filler comprising structured filler and silanized glass flakes 登特斯普伊德特雷有限公司 2019-02-05 CN disclosed
CN-109152701-A Dental composition 登特斯普伊德特雷有限公司 2019-01-04 CN disclosed
CN-106660345-A Film for Surface Decoration 东洋纺株式会社 2017-05-10 CN disclosed
CN-103179941-B dental cement composition 登特斯普伊德特雷有限公司 2017-04-26 CN disclosed
CN-104955644-B Incrustation film 东洋纺株式会社 2017-03-15 CN disclosed
CN-105878040-A Dental composition 登特斯普伊德特雷有限公司 2016-08-24 CN disclosed
CN-103270055-B For the polymkeric substance of glass ionomer cement DENTSPLY DETREY GMBH (DE) 2016-01-20 CN disclosed
CN-102395329-B Composite and use thereof SKULLE IMPLANTS OY (FI) 2015-11-25 CN disclosed
CN-104955644-A FILM FOR SURFACE DECORATION TOYO BOSEKI 2015-09-30 CN disclosed
CN-103153264-B Dental composition DENTSPLY DETREY GMBH (DE) 2015-09-09 CN disclosed
US-7806050-B2 Ink composition, inkjet recording method, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-10-05 US disclosed
US-20070182786-A1 Ink composition, inkjet recording method, method of producing planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2007-08-09 US disclosed