SCHEMBL20915343

SCHEMBL20915343

CCCCOC(=O)Oc1c2cccc(C)c2c(OC(=O)OCCCC)c2cccc(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.48
▸ TSHR P16473 5/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL20398592 0.96 ELANE (0.45) ELANETSHRL3MBTL1TDP1LMNA
SCHEMBL31081321 0.96 TSHR (0.44) ELANETSHRL3MBTL1TDP1LMNA
SCHEMBL20398464 0.96 TSHR (0.44) ELANETSHRL3MBTL1TDP1LMNA
SCHEMBL20398465 0.94 ALDH1A1 (0.46) ELANETSHRLMNAESR1MAPK1
SCHEMBL20398638 0.94 ALDH1A1 (0.46) ELANETSHRLMNAESR1MAPK1
SCHEMBL20398695 0.94 ALDH1A1 (0.46) ELANETSHRLMNAESR1MAPK1
SCHEMBL31081498 0.94 ALDH1A1 (0.46) ELANETSHRLMNAESR1MAPK1
SCHEMBL20398659 0.92 TSHR (0.44) ELANETSHRL3MBTL1TDP1LMNA
SCHEMBL20398669 0.91 ELANE (0.42) ELANETSHRL3MBTL1TDP1LMNA
SCHEMBL20398670 0.91 MAPK1 (0.41) ELANETSHRL3MBTL1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454090-B Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof 川崎化成工业株式会社 2024-08-23 — — CN disclosed
US-12065521-B2 Compound having polycyclic aromatic skeleton, and endoperoxide compound of same KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-08-20 — — US disclosed
US-20220127385-A1 COMPOUND HAVING POLYCYCLIC AROMATIC SKELETON, AND ENDOPEROXIDE COMPOUND OF SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-28 — — US disclosed
US-11149103-B2 Photopolymerization sensitizer composition and photopolymerizable composition comprising the same KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-10-19 — — US disclosed
US-20190119426-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION AND PHOTOPOLYMERIZABLE COMPOSITION COMPRISING THE SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2019-04-25 — — US disclosed
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