SCHEMBL7759971

SCHEMBL7759971

CCOC(=O)C(C)(NC(=O)C(C)c1ccc(I)cc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
PKM P14618 1/20 0.34
CHRM1 P11229 1/20 0.34
PDE4A P27815 1/20 0.34
KYAT1 Q16773 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7671511 0.87 CXCR2 (0.38) CXCR1CXCR2CHRM1PDE4AGPR88
SCHEMBL7220546 0.74 CYP3A4 (0.39) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL8626625 0.74 TSHR (0.40) MMP8LMNAHTTSMN1; SMN2
SCHEMBL7640906 0.73 GPR88 (0.47) CXCR2GPR88
SCHEMBL7641154 0.73 SMN1; SMN2 (0.39) LMNASMN1; SMN2CXCR1CXCR2CHRM1
SCHEMBL7638122 0.73 FFAR2 (0.42) CXCR1CXCR2
SCHEMBL7639480 0.73 GRM7 (0.46) HTTCXCR1CXCR2ALDH1A1
SCHEMBL5634815 0.70 KYAT1 (0.43) LMNAHTTSMN1; SMN2KYAT1ALDH1A1
SCHEMBL8613437 0.70 PTGS2 (0.47) LMNAALDH1A1
SCHEMBL462302 0.70 CHRM1 (0.44) CXCR1CXCR2PKMCHRM1PDE4A

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-1092706-A1 PROCESS FOR THE PREPARATION OF PHENYLALKANOIC ACID AMIDES AND INTERMEDIATES THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed