SCHEMBL3695157

SCHEMBL3695157

CCOC(=O)Cc1c(C(F)(F)F)cc(OC)c(-c2ccccc2)c1COC(=O)N(CC)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.47
TBXA2R P21731 4/20 0.47
PTGDR Q13258 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
PTGIR P43119 2/20 0.47
CETP P11597 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3691723 0.92 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3695869 0.84 PTGDR2 (0.43) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3693923 0.81 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3391526 0.80 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3704364 0.80 L3MBTL1 (0.40) CYP3A4CYP2C9MEN1KMT2A
SCHEMBL3411657 0.80 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3694447 0.77 L3MBTL1 (0.41) CYP3A4CYP2C9MEN1KMT2A
SCHEMBL27986022 0.76 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2502913 0.74 PTGDR2 (0.76) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL28785867 0.73 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042652-A2 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-15 WO disclosed