SCHEMBL8761425

SCHEMBL8761425

CN(C)CCOc1ccc(C=O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.57
▸ TYR P14679 1/20 0.57
▸ TRIM33 Q9UPN9 1/20 0.57
▸ CHRNB2 P17787 2/20 0.56
▸ CHRNA4 P43681 2/20 0.56
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43

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
SCHEMBL8761047 0.88 ERN1 (0.57) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL4556765 0.83 TYR (0.62) TRIM24TYRTRIM33ALDH1A1POLB
SCHEMBL19025099 0.83 TYR (0.62) TRIM24TYRTRIM33ALDH1A1POLB
SCHEMBL1647021 0.82 KDM4E (0.53) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL3204682 0.81 TYR (0.65) TRIM24TYRTRIM33ALDH1A1POLB
SCHEMBL8761388 0.81 CHRNB2 (0.52) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL4729218 0.81 CHRNB2 (0.49) CHRNB2CHRNA4LTA4HESR1ESR2
SCHEMBL8761193 0.81 CHRNB2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL10584941 0.81 TYR (0.59) TRIM24TYRTRIM33ALDH1A1POLB
SCHEMBL15474984 0.81 MAOB (0.62) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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
EP-4626445-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF University of Maryland, Baltimore (US) 2025-10-08 — — EP disclosed
WO-2024119099-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-06-06 — — WO disclosed
CN-104211632-B 2 indolone derivatives with tyrosine-kinase enzyme inhibition activity and preparation method and application 中国人民解放军军事医学科学院放射与辐射医学研究所 2016-12-28 — — CN disclosed
EP-0521787-B1 Vanadium complexes, their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-04-23 — — EP disclosed
US-5278154-A New vanadium complexes ADIR ET COMPAGNIE (FR) 1994-01-11 — — US disclosed
US-5266565-A Antidiabetic ADIR ET COMPAGNIE (FR) 1993-11-30 — — US disclosed
EP-0521787-A1 Vanadium complexes, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-01-07 — — EP disclosed
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