SCHEMBL20398423

SCHEMBL20398423

CCCCC(CC)COC(=O)Oc1c2cccc(C)c2c(OC(=O)OCC(CC)CCCC)c2cccc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ CYP3A4 P08684 4/20 0.51
▸ CA2 P00918 1/20 0.51
▸ LMNA P02545 3/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ TSHR P16473 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.33

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
SCHEMBL20398439 0.97 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398583 0.88 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398562 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398568 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398669 0.81 ELANE (0.42) ALDH1A1LMNATSHRTDP1MAPK1
SCHEMBL20915343 0.81 ELANE (0.48) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL23271881 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003254 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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