SCHEMBL5576185

SCHEMBL5576185

COc1cc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=CC2=N3)C=C6)C=C5)C=C4)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CXCL12 P48061 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ FYN P06241 3/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCND3 P30281 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2951402 0.88 PDE4A (0.36) GAAGFERALDH1A1KDM4EMAPT
SCHEMBL9429848 0.84 MAPT (0.36) GAAALDH1A1PTGS1PTGS2KDM4E
SCHEMBL606305 0.83 POLB (0.33) POLBCXCL12GAARECQLGFER
SCHEMBL2950392 0.82 KDM4E (0.36) POLBGAAFYNALDH1A1KDM4E
SCHEMBL29148790 0.81 AMY1A (0.34) —
SCHEMBL2942317 0.76 CYP1A1 (0.34) FGFR1ALDH1A1KDM4E
SCHEMBL3107258 0.75 HSD17B1 (0.38) —
SCHEMBL28418542 0.75 SRC (0.36) —
SCHEMBL28851704 0.74 — —
SCHEMBL5319098 0.74 — —

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
EP-4329742-A1 COMPOSITIONS COMPRISING EPA AND METHODS OF USING THE SAME FOR TREATING AND/OR PREVENTING ENDOTHELIAL DYSFUNCTION IN A SUBJECT Amarin Pharmaceuticals Ireland Limited (IE) 2024-03-06 — — EP disclosed
WO-2022232633-A1 COMPOSITIONS COMPRISING EPA AND METHODS OF USING THE SAME FOR TREATING AND/OR PREVENTING ENDOTHELIAL DYSFUNCTION IN A SUBJECT AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2022-11-03 — — WO disclosed
US-7291503-B2 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-06 — — US disclosed
US-20040235184-A1 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-11-25 — — US disclosed
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