SCHEMBL20398669

SCHEMBL20398669

CCCCOC(=O)Oc1c2cccc(C)c2c(OC(=O)OCCCC)c2cccc(C)c12.Cc1cccc2c(OC(=O)OCC(C)C)c3c(C)cccc3c(OC(=O)OCC(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.42
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL20915343 0.91 ELANE (0.48) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL20915582 0.90 ALDH1A1 (0.41) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL20398592 0.88 ELANE (0.45) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL20398464 0.87 TSHR (0.44) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL31081321 0.87 TSHR (0.44) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL20398465 0.86 ALDH1A1 (0.46) ELANETSHRLMNAALDH1A1MAPK1
SCHEMBL20398638 0.86 ALDH1A1 (0.46) ELANETSHRLMNAALDH1A1MAPK1
SCHEMBL20398566 0.86 ALDH1A1 (0.42) ELANESCN5ASCN9ASCN10AL3MBTL1
SCHEMBL20398695 0.86 ALDH1A1 (0.46) ELANETSHRLMNAALDH1A1MAPK1
SCHEMBL31081498 0.86 ALDH1A1 (0.46) ELANETSHRLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570227-B2 Photopolymerizable composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2020-02-25 — — US disclosed
US-20180208689-A1 PHOTOPOLYMERIZABLE COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2018-07-26 — — US disclosed
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