SCHEMBL11042375

SCHEMBL11042375

O=C1CC(C(=O)O)N[CH]N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
CYP2D6 P10635 3/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CAD P27708 2/20 0.35
GRIA2 P42262 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33

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
SCHEMBL690090 0.74
SCHEMBL1300246 0.74
SCHEMBL690089 0.74
SCHEMBL6950284 0.72
SCHEMBL16467758 0.72 CAD (0.48) GAAMAPTEGLN1CYP2D6LMNA
SCHEMBL635259 0.68
SCHEMBL1702706 0.68 EGLN1 (0.36) GAAMAPTEGLN1CYP2D6LMNA
SCHEMBL5069018 0.67
SCHEMBL7851817 0.65
Dihydroorotate SCHEMBL758070 0.65 CAD (0.43) GAAMAPTEGLN1CYP2D6LMNA

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
EP-0119995-A1 NEW ACYLATED DERIVATIVES OF DEHYDRO OROTIC ACID, PREPARATIONS THEREOF AND UTILIZATIONS THEREOF AS DRUG CORBIERE, Jérôme (FR) 1984-10-03 EP claimed
WO-1984001385-A1 NEW ACYLATED DERIVATIVES OF DEHYDRO OROTIC ACID, PREPARATIONS THEREOF AND UTILIZATIONS THEREOF AS DRUG CORBIERE JEROME 1984-04-12 WO claimed
EP-0119995-A1 NEW ACYLATED DERIVATIVES OF DEHYDRO OROTIC ACID, PREPARATIONS THEREOF AND UTILIZATIONS THEREOF AS DRUG CORBIERE, Jérôme (FR) 1984-10-03 EP disclosed
WO-1984001385-A1 NEW ACYLATED DERIVATIVES OF DEHYDRO OROTIC ACID, PREPARATIONS THEREOF AND UTILIZATIONS THEREOF AS DRUG CORBIERE JEROME 1984-04-12 WO disclosed