SCHEMBL8476969

SCHEMBL8476969

CCS(=O)(=O)CCCC(NC1CC(C)(C)Oc2ccc(C)cc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.36
CTSD P07339 5/20 0.35
BACE1 P56817 5/20 0.35
SIRT2 Q8IXJ6 4/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KCNA5 P22460 1/20 0.33
SIRT1 Q96EB6 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8476718 0.91 TRPV1 (0.38) TRPV1CTSDBACE1SIRT2BACE2
Guanidine SCHEMBL8525006 0.87 TRPV1 (0.35) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL8480828 0.84 TRPV1 (0.47) TRPV1CTSDBACE1
SCHEMBL8476723 0.76 TRPV1 (0.38) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6559522 0.73 TRPV1 (0.40) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6558641 0.73 TRPV1 (0.39) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6558219 0.71 TRPV1 (0.39) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6559514 0.71 TRPV1 (0.39) TRPV1CTSDBACE1SIRT2BACE2
SCHEMBL6559916 0.70 TRPV1 (0.42) TRPV1SIRT2KCNA5SIRT1
SCHEMBL8480422 0.69 TRPV1 (0.50) TRPV1CTSDBACE1

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
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed