SCHEMBL11042365

SCHEMBL11042365

CC(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GPR84 Q9NQS5 4/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4283121 0.82 CYP1A2 (0.64) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL28584034 0.82 CYP1A2 (0.58) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL118496 0.81 CYP1A2 (1.00) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL11957579 0.78 LMNA (0.65) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL1050338 0.77 CYP1A2 (0.67) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL29216003 0.77 CYP1A2 (0.67) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL917082 0.76 GPR84 (0.68) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL11884800 0.76 CYP1A2 (0.56) CYP1A2LMNAALDH1A1GPR84MEN1
Orotic Acid SCHEMBL18894201 0.75 ALDH1A1 (0.88) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL2516165 0.74 CYP1A2 (0.62) CYP1A2LMNAALDH1A1GPR84MEN1

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 2 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 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