SCHEMBL6960697

SCHEMBL6960697

CC(C)C1CN(OC(=O)OC(C)(C)C)CC(O)C1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MC4R P32245 2/20 0.32
STS P08842 2/20 0.31
RIPK1 Q13546 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
PDE5A O76074 1/20 0.30
POLB P06746 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
GAA P10253 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
SCHEMBL7074672 0.88 MDM2 (0.33) MEN1KMT2AMC4RGAA
SCHEMBL6958920 0.85 MDM2 (0.34) SLC6A4SLC6A3TRPV1
SCHEMBL6951399 0.81 SLC6A3 (0.37) KMT2ARIPK1SLC6A3
SCHEMBL6955257 0.78 MIF (0.35) PDE5A
SCHEMBL7073808 0.77 GPBAR1 (0.41) MEN1KMT2AMC4R
SCHEMBL6041482 0.76 MDM2 (0.36) TRPV1NFKB1NFKB2RELA
SCHEMBL6958285 0.76
SCHEMBL6951574 0.74 TACR1 (0.37) SLC6A4SLC6A3
SCHEMBL6959116 0.73 RORC (0.35)
SCHEMBL6042862 0.73 ALDH1A1 (0.36) MEN1KMT2ASLC6A4SLC6A3GAA

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed