SCHEMBL27426719

SCHEMBL27426719

CCOc1cc(C=O)cc(I)c1OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BPTF Q12830 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN12 Q05209 1/20 0.36
▸ PTPN22 Q9Y2R2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TACR2 P21452 1/20 0.34
▸ ELANE P08246 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
SCHEMBL27426713 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL27426717 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTBPTFTSHR
SCHEMBL27426727 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL27426715 0.84 ELANE (0.39) ELANE
SCHEMBL27426721 0.75 ELANE (0.41) ALDH1A1LMNAMAPTELANE
SCHEMBL16055032 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL14988701 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL6801555 0.74 KDM4E (0.60) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL26617168 0.73 MEN1 (0.40) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL6850758 0.73 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 — — WO disclosed
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