SCHEMBL8585035

SCHEMBL8585035

CC(C)(C(=O)O)N(CC(O)CO)CC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
OR51E2 Q9H255 1/20 0.33
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2D6 P10635 1/20 0.31
TET2 Q6N021 1/20 0.30

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
SCHEMBL8584576 0.82 ACACB (0.35) ACACBACACAALDH1A1TSHRCYP2C19
SCHEMBL8586684 0.81 LMNA (0.31) ALDH1A1LMNA
SCHEMBL15287974 0.74 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL2788268 0.74 ACACB (0.33) ACACBACACAALDH1A1LMNAOR51E2
SCHEMBL18340854 0.74 ACACB (0.33) ACACBACACAALDH1A1LMNAOR51E2
SCHEMBL8585662 0.74 ACACB (0.31) ACACBACACAALDH1A1
Pivalate SCHEMBL28740235 0.72 ALDH1A1 (0.53) ACACBACACAALDH1A1LMNAOR51E2
SCHEMBL8586696 0.71 TSHR (0.35) ACACBACACAALDH1A1LMNAOR51E2
SCHEMBL8583309 0.71 TSHR (0.35) ALDH1A1LMNATSHRCYP2C19HIF1A
SCHEMBL8585232 0.71 AOC3 (0.51) LMNA

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-0839032-A4 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENT INC (US) 1998-07-08 EP claimed
EP-0839032-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1998-05-06 EP claimed
WO-1996040104-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1996-12-19 WO claimed
EP-0839032-A4 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENT INC (US) 1998-07-08 EP disclosed
EP-0839032-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1998-05-06 EP disclosed
US-5679711-A Hydroxyl ions as novel therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents FHJ SCIENTIFIC, INC. (US) 1997-10-21 US disclosed
WO-1996040104-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS FHJ SCIENTIFIC, INC. (US) 1996-12-19 WO disclosed