SCHEMBL8948359

SCHEMBL8948359

O=C(O)C(c1ccccc1)N(CCO)CCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
NR4A2 P43354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PABPC1 P11940 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL8948380 0.84 L3MBTL1 (0.37) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL11494728 0.83 NR1H2 (0.43) SRCCYP2D6LMNAMAPK1L3MBTL1
SCHEMBL10411271 0.83 POLB (0.42) SRCCYP2D6LMNAMAPK1NR1H2
SCHEMBL8948307 0.82 KDM4E (0.44) LMNAL3MBTL1CYP2C19
SCHEMBL2683020 0.78 PGR (0.50) SRCCYP2D6LMNAMAPK1NR1H2
SCHEMBL629045 0.78 PGR (0.50) SRCCYP2D6LMNAMAPK1NR1H2
SCHEMBL10985821 0.78 MEN1 (0.38) LMNAL3MBTL1MEN1KMT2A
SCHEMBL11454887 0.78 SRC (0.41) SRCCYP2D6LMNAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL901698 0.77 PGR (0.49) SRCCYP2D6LMNAMAPK1NR1H2
Hydrochloric Acid SCHEMBL627946 0.77 PGR (0.49) SRCCYP2D6LMNAMAPK1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US claimed
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed