SCHEMBL9526390

SCHEMBL9526390

CCCC/C(C/C(=N/OC)C(=O)OCC)=N/OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
FAAH O00519 2/20 0.36
KYAT1 Q16773 6/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2C9 P11712 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
SCHEMBL9526395 1.00 APOBEC3A (0.36) APOBEC3AAPOBEC3GFAAHKYAT1MAPT
SCHEMBL3836644 0.86 APOBEC3A (0.37) APOBEC3AAPOBEC3GFAAHKYAT1MAPT
SCHEMBL3836647 0.86 APOBEC3A (0.37) APOBEC3AAPOBEC3GFAAHKYAT1MAPT
SCHEMBL950646 0.76 MAPT (0.43) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL950647 0.76 MAPT (0.43) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL14487036 0.76 MAPT (0.43) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL29134126 0.75 MAPT (0.38) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL20778292 0.75 MAPT (0.38) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL15100755 0.75 MAPT (0.38) APOBEC3AAPOBEC3GKYAT1MAPTALDH1A1
SCHEMBL212925 0.73 CES1 (0.35) MAPTALDH1A1CES2CES1CA1

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
US-5262412-A Angiotensin II antagonists, hypotensive agents, treatment of congestive heart failure and glaucoma MERCK & CO., INC. (US) 1993-11-16 US disclosed
EP-0523141-A4 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES 1993-04-21 EP disclosed
EP-0523141-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO. INC. (US) 1993-01-20 EP disclosed
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO disclosed