SCHEMBL5119451

SCHEMBL5119451

CCN(C(=O)c1cc(Oc2cccc3cc(C(=O)O)n(C)c23)ccn1)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
GFER P55789 1/20 0.35
PYGL P06737 4/20 0.35
PYGM P11217 4/20 0.35
PPARG P37231 7/20 0.34
MCL1 Q07820 1/20 0.33
SRD5A2 P31213 1/20 0.33
P2RX3 P56373 1/20 0.33
CCR2 P41597 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5111493 0.81 BRAF (0.51) RAF1BRAFPYGLPYGM
SCHEMBL5125532 0.80 PPARG (0.48) GFERPYGLPYGMPPARGMCL1
SCHEMBL5872500 0.80 GFER (0.40) GFERPYGLPYGMPPARGMCL1
SCHEMBL5119436 0.80 PYGL (0.41) RAF1BRAFPYGLPYGMKDM4E
SCHEMBL5117903 0.80 PPARG (0.39) GFERPPARGMCL1SRD5A2P2RX3
SCHEMBL14276263 0.79 P2RX3 (0.39) PYGLPYGMPPARGP2RX3KDM4E
SCHEMBL5124452 0.78 PPARG (0.40) GFERPPARGMCL1SRD5A2P2RX3
SCHEMBL4048516 0.78 PPARG (0.46) BRAFGFERPYGLPYGMPPARG
SCHEMBL5118388 0.77 HRH3 (0.41)
SCHEMBL4049554 0.76 MCL1 (0.44) RAF1GFERPPARGMCL1SRD5A2

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed