SCHEMBL11075241

SCHEMBL11075241

CCOc1cccc(OCC)c1C(CC(N)=O)CC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
GLA P06280 1/20 0.45
TNF P01375 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR7 P34969 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
MCL1 Q07820 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL11086924 0.83 L3MBTL1 (0.50) L3MBTL1GLATNFALDH1A1HTR7
SCHEMBL7444020 0.78 L3MBTL1 (0.46) L3MBTL1GLAALDH1A1HTR7LMNA
SCHEMBL11077513 0.77 ALDH1A1 (0.48) L3MBTL1GLAALDH1A1LMNAMAPT
SCHEMBL11083311 0.75 CYP2C19 (0.41) L3MBTL1GLAALDH1A1HTR7LMNA
SCHEMBL27644074 0.74 L3MBTL1 (0.43) L3MBTL1GLAGAAKDM4EKMT2A
SCHEMBL11077763 0.73 L3MBTL1 (0.55) L3MBTL1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL11072867 0.73 TNF (0.47) L3MBTL1GLATNFALDH1A1LMNA
SCHEMBL16666142 0.73 GLA (0.52) L3MBTL1GLAALDH1A1LMNAMCL1
SCHEMBL11077027 0.72 POLB (0.66) L3MBTL1TNFALDH1A1PDE4APDE4B
1,2-Diethoxybenzene SCHEMBL28400278 0.72 L3MBTL1 (0.66) L3MBTL1GLAALDH1A1HTR7LMNA

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed