SCHEMBL5548685

SCHEMBL5548685

CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2[c]ccc(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
MAPT P10636 2/20 0.48
RHOA P61586 10/20 0.47
STS P08842 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RHOC P08134 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL5547801 0.82 MEN1 (0.53) PTPN1MEN1ALDH1A1KMT2A
SCHEMBL5548652 0.79 TGFBR1 (0.53) MAPTSTS
SCHEMBL5551875 0.79 MEN1 (0.50) ABL1MEN1ALDH1A1KMT2A
SCHEMBL16422638 0.78 NPY5R (0.53) ABL1RIN1MAPTRHOAPTPN2
SCHEMBL16238694 0.78 NPY5R (0.53) ABL1RIN1MAPTRHOAPTPN2
SCHEMBL5547807 0.78 EPHX2 (0.48) RHOASTSRHOCMEN1ALDH1A1
SCHEMBL5551386 0.78 KDM4E (0.47) MAPTRHOARHOCMEN1ALDH1A1
SCHEMBL24250378 0.78 MAPT (0.59) ABL1RIN1MAPTRHOAPTPN2
SCHEMBL193295 0.75 RAB9A (0.65) ABL1RIN1MAPTPTPN2PTPN1
SCHEMBL193294 0.75 RAB9A (0.65) ABL1RIN1MAPTPTPN2PTPN1

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed