SCHEMBL9780850

SCHEMBL9780850

Cc1cc(OCc2ccccc2)cc(C)c1CC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
MAOB P27338 3/20 0.47
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
NR4A2 P43354 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
P4HTM Q9NXG6 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL9780596 0.87 MEN1 (0.55) MEN1KMT2AMRGPRX4MAOBFFAR1
SCHEMBL18179855 0.82 ALDH1A1 (0.69) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL2209201 0.79 MEN1 (0.51) MEN1KMT2AMRGPRX4MAOBFFAR1
SCHEMBL2203344 0.79 MAOB (0.49) L3MBTL1MAPK1MEN1KMT2AMRGPRX4
SCHEMBL4852083 0.78 MEN1 (0.56) ALDH1A1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL1137350 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPK1MAOBFFAR1
SCHEMBL2658123 0.77 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPK1MAOBFFAR1
SCHEMBL20867886 0.77 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPK1MAOBFFAR1
SCHEMBL28207459 0.77 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPK1MAOBFFAR1
SCHEMBL597702 0.77 MEN1 (0.63) MEN1KMT2AMRGPRX4MAOBFFAR1

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-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 EP disclosed