SCHEMBL8481002

SCHEMBL8481002

CCCOC(N)=NNC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
MIF P14174 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL8475744 0.83 ALOX15 (0.43) RAB9AALOX15GAAMAPTALDH1A1
SCHEMBL28349630 0.79 ALOX15 (0.46) RAB9AALOX15GAAMAPTALDH1A1
SCHEMBL8849797 0.77 RAB9A (0.38) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8393558 0.76 ALDH1A1 (0.39) ALOX15GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL16418041 0.73 RAB9A (0.40) RAB9AALOX15GAAMAPTALDH1A1
SCHEMBL4659997 0.72 RAB9A (0.49) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3522854 0.71 RAB9A (0.47) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3517357 0.71 RAB9A (0.47) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3522852 0.71 RAB9A (0.47) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9523126 0.69 MAPT (0.43) RAB9AGAAMAPTALDH1A1SMN1; SMN2

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-5710303-A Process for the preparation of alkoxytriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1998-01-20 US claimed
US-5892054-A Process for the preparation of alkoxytriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1999-04-06 US disclosed
US-5710303-A Process for the preparation of alkoxytriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5599945-A Process for the preparation of alkoxytriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed