SCHEMBL9780596

SCHEMBL9780596

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.53
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
FFAR1 O14842 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
SLC26A3 P40879 4/20 0.51
MAOB P27338 3/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
FFAR4 Q5NUL3 2/20 0.49
NR4A2 P43354 2/20 0.49
ALOX5 P09917 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49

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
SCHEMBL9780850 0.87 ALDH1A1 (0.57) MEN1KMT2AFFAR1MRGPRX4MAOB
SCHEMBL2203344 0.82 MAOB (0.49) MEN1KMT2AFFAR1MRGPRX4MAOB
SCHEMBL2209201 0.82 MEN1 (0.51) MEN1KMT2AFFAR1MRGPRX4MAOB
SCHEMBL3914337 0.82 S1PR1 (0.60) MEN1KMT2AFFAR1MRGPRX4MAOB
SCHEMBL597702 0.81 MEN1 (0.63) MEN1KMT2AFFAR1MRGPRX4MAOB
SCHEMBL9205498 0.80 LTB4R (0.68) MEN1KMT2ALTB4RLTB4R2FFAR1
SCHEMBL2957881 0.80 MEN1 (0.67) MEN1KMT2ALTB4RLTB4R2FFAR1
SCHEMBL11965262 0.79 MAOB (0.54) MEN1KMT2APTGDR2LTB4RLTB4R2
SCHEMBL20781419 0.79 MAOB (0.54) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL16348239 0.79 MEN1 (0.65) MEN1KMT2ALTB4RLTB4R2FFAR1

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