SCHEMBL8428843

SCHEMBL8428843

C=CC(=O)Oc1c(OCC)c(OCC)c(C2(c3c(OCC)c(OCC)c(OC(=O)C=C)c(OCC)c3OCC)c3ccccc3-c3ccccc32)c(OCC)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
THRA P10827 1/20 0.36
PDK2 Q15119 4/20 0.34
TYMS P04818 1/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL557052 0.83 TSHR (0.36) THRBTHRAPDK2ESR1ESR2
SCHEMBL6330393 0.82 ELANE (0.35) PDK2ESR1ESR2KMT2AALDH1A1
SCHEMBL28293430 0.82 THRB (0.36) THRBTHRAPDK2TYMSESR1
SCHEMBL556302 0.81 THRB (0.40) THRBTHRAPDK2TYMSESR1
SCHEMBL29720841 0.81 THRB (0.40) THRBTHRAPDK2TYMSESR1
SCHEMBL4137298 0.80 PDK2 (0.35) PDK2ESR1ESR2
SCHEMBL4951714 0.78 ESR1 (0.36) THRBTHRAPDK2ESR1ESR2
SCHEMBL28295194 0.78 LMNA (0.31)
SCHEMBL4143991 0.78 PDK2 (0.32) PDK2
SCHEMBL6322648 0.76 ELANE (0.33) PDK2ESR1ESR2KMT2AALDH1A1

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-0620501-B1 Photosensitive composition for volume hologram recording NIPPON PAINT CO LTD (JP) 1999-12-01 EP disclosed
US-5858614-A POLYPHENYL RESIN CONTAINING 9,9-DIARYLFLUORENE UNITS NIPPON PAINT CO., LTD. (JP) 1999-01-12 US disclosed
EP-0620501-A2 Photosensitive composition for volume hologram recording NIPPON PAINT CO., LTD. (JP) 1994-10-19 EP disclosed