SCHEMBL10698723

SCHEMBL10698723

N#Cc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1OCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
PDE4B Q07343 2/20 0.37
THRA P10827 1/20 0.37
CYP2C19 P33261 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
FFAR1 O14842 1/20 0.37
ACLY P53396 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10697335 0.92 PDE4B (0.37) SMN1; SMN2HPGDMRGPRX4PDE4BCYP2C19
SCHEMBL9750878 0.73 PTPN7 (0.52) PTGDR2SMN1; SMN2THRBMRGPRX4THRA
SCHEMBL11183469 0.72 THRB (0.52) PTGDR2SMN1; SMN2THRBTHRAKDM4E
SCHEMBL11439204 0.72 FFAR1 (0.55) PTGDR2MRGPRX4CYP2C19FFAR1
SCHEMBL8986399 0.70 PTGDR2 (0.45) PTGDR2SMN1; SMN2HPGDMRGPRX4CYP2C19
SCHEMBL10698024 0.69 THRB (0.38) SMN1; SMN2THRBTHRACYP2C9FFAR1
SCHEMBL4594851 0.69 PTGDR2 (0.65) PTGDR2
SCHEMBL10698183 0.68 KMT2A (0.37) SMN1; SMN2THRBHPGDCYP2C19CYP1A2
SCHEMBL11447794 0.68 PPARA (0.43) THRBMRGPRX4CYP2C19CYP1A2
SCHEMBL9750971 0.67 PTPN7 (0.48) PTGDR2SMN1; SMN2THRBMRGPRX4THRA

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
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed