SCHEMBL20398636

SCHEMBL20398636

CCCOC(=O)Oc1c2cccc(CC)c2c(OC(=O)OCCC)c2cccc(CC)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ELANE P08246 3/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL20398565 0.96 ALDH1A1 (0.41) ALDH1A1SCN5ASCN9ASCN10ALMNA
SCHEMBL20398456 0.91 ELANE (0.48) ALDH1A1SCN5ASCN9ASCN10ALMNA
SCHEMBL31081523 0.90 TSHR (0.44) ALDH1A1SCN5ASCN9ASCN10ALMNA
SCHEMBL20398463 0.90 TSHR (0.44) ALDH1A1SCN5ASCN9ASCN10ALMNA
SCHEMBL20398536 0.89 ELANE (0.46) ALDH1A1LMNAELANEKDM4EHSD17B10
SCHEMBL20398497 0.89 ELANE (0.46) ALDH1A1LMNAELANEKDM4EHSD17B10
SCHEMBL31080837 0.89 ELANE (0.46) ALDH1A1LMNAELANEKDM4EHSD17B10
SCHEMBL20398578 0.89 ELANE (0.46) ALDH1A1LMNAELANEKDM4EHSD17B10
SCHEMBL20398537 0.88 TYMS (0.46) ALDH1A1SCN5ASCN9ASCN10AMAOB
SCHEMBL31080998 0.88 TYMS (0.46) ALDH1A1SCN5ASCN9ASCN10AMAOB

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-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-10570227-B2 Photopolymerizable composition KAWASAKI KASEI CHEMICALS LTD. (JP) 2020-02-25 — — US disclosed
US-20190119426-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION AND PHOTOPOLYMERIZABLE COMPOSITION COMPRISING THE SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2019-04-25 — — US disclosed
US-20180208689-A1 PHOTOPOLYMERIZABLE COMPOSITION KAWASAKI KASEI CHEMICALS LTD. (JP) 2018-07-26 — — US disclosed
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