SCHEMBL20398463

SCHEMBL20398463

CCCCCOC(=O)Oc1c2cccc(CC)c2c(OC(=O)OCCCCC)c2cccc(CC)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ELANE P08246 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MMP1 P03956 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP2 P08253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 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
SCHEMBL31081523 1.00 TSHR (0.44) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398536 0.99 ELANE (0.46) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398497 0.99 ELANE (0.46) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398578 0.99 ELANE (0.46) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL31080837 0.99 ELANE (0.46) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398415 0.96 TSHR (0.44) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL31080932 0.96 TSHR (0.44) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398456 0.96 ELANE (0.48) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398572 0.95 TSHR (0.46) TSHRMAPK1TP53CYP3A4ELANE
SCHEMBL20398504 0.95 TSHR (0.46) TSHRMAPK1TP53CYP3A4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback