SCHEMBL2556815

SCHEMBL2556815

COC(=O)C1(C)CCCOC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29219371 0.88 CYP3A4 (0.37) NPSR1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL28548480 0.79
SCHEMBL11006305 0.78 NPSR1 (0.38) NPSR1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL13954119 0.78 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL16369860 0.78 FFAR3 (0.48) NPSR1CYP2C19LMNAALDH1A1SMN1; SMN2
SCHEMBL7114208 0.77 NPSR1 (0.37) NPSR1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1928676 0.77
SCHEMBL17958 0.77 NPSR1 (0.52) NPSR1CYP3A4MEN1KMT2ACYP4F2
SCHEMBL20221227 0.76 ALDH1A1 (0.35) PKMALDH1A1SMN1; SMN2
SCHEMBL20837313 0.76 DGAT1 (0.33) ALDH1A1SMN1; SMN2

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-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed