SCHEMBL28031202

SCHEMBL28031202

CCCCC(CCC)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NR1I2 O75469 1/20 0.36
BDKRB2 P30411 1/20 0.32
TSHR P16473 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
SCHEMBL817130 0.96 NR1I2 (0.38) ESR1ESR2NR1I2BDKRB2TSHR
SCHEMBL8859009 0.94 NR1I2 (0.41) ESR1ESR2NR1I2BDKRB2
SCHEMBL5480284 0.92 NR1I2 (0.44) ESR1ESR2NR1I2
SCHEMBL6850756 0.92 NR1I2 (0.44) ESR1ESR2NR1I2
SCHEMBL10358926 0.92 NR1I2 (0.42) ESR1ESR2NR1I2BDKRB2
SCHEMBL817069 0.92 ESR1 (0.42) ESR1ESR2
SCHEMBL10358358 0.90 NR1I2 (0.45) NR1I2BDKRB2
SCHEMBL983798 0.90 NR1I2 (0.44) ESR1ESR2NR1I2BDKRB2TSHR
SCHEMBL10357844 0.88 NR1I2 (0.46) NR1I2TSHR
SCHEMBL982650 0.88 NR1I2 (0.46) NR1I2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698841-A Special second-order hot-mixed epoxy adhesive layer oil for paving steel bridge deck as well as preparation method and application thereof 东南大学 2021-11-26 CN claimed
CN-113698841-A Special second-order hot-mixed epoxy adhesive layer oil for paving steel bridge deck as well as preparation method and application thereof 东南大学 2021-11-26 CN disclosed
CN-109075258-A Organic photoelectric converter and the solar cell module and sensor for having the organic photoelectric converter 住友化学株式会社 2018-12-21 CN disclosed
CN-107431134-A Photoelectric conversion element having reflection plate 住友化学株式会社 2017-12-01 CN disclosed
CN-104918979-B Reactive compounds 住友化学株式会社 2017-03-08 CN disclosed
CN-103597005-B Macromolecular compound and use its electronic component SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-21 CN disclosed
CN-104918979-A Reactive compound SUMITOMO CHEMICAL CO 2015-09-16 CN disclosed