SCHEMBL9568019

SCHEMBL9568019

NC(=O)C(CC1CCc2ccccc2C1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
FCER2 P06734 2/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.44
PTGIR P43119 1/20 0.39
CTSD P07339 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PPARG P37231 1/20 0.37
CYP19A1 P11511 1/20 0.36
HTR1A P08908 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
OPRD1 P41143 1/20 0.36
AKR1C3 P42330 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
PREP P48147 4/20 0.36
MCHR1 Q99705 1/20 0.36
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35
DGAT1 O75907 1/20 0.35
TPH1 P17752 1/20 0.35

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
SCHEMBL9050999 0.81 PTGIR (0.48) PTGIR
SCHEMBL9567999 0.77 TRPM8 (0.47) TRPM8
SCHEMBL9567947 0.76 TRPM8 (0.39) MMP1FCER2MMP9MMP3TRPM8
SCHEMBL9567949 0.70 ALDH1A1 (0.50) PTGIRPREPDGAT1
SCHEMBL7809851 0.70 MMP1 (0.52) MMP1FCER2MMP9MMP3PPARG
SCHEMBL6571514 0.70 MMP1 (0.52) MMP1FCER2MMP9MMP3PPARG
SCHEMBL6571517 0.70 MMP1 (0.52) MMP1FCER2MMP9MMP3PPARG
SCHEMBL6573689 0.70 MMP1 (0.52) MMP1FCER2MMP9MMP3PPARG
SCHEMBL30612420 0.70 PREP (0.51) CYP19A1PREPNPY1RNPY5R
SCHEMBL1726797 0.70 PREP (0.51) CYP19A1PREPNPY1RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed