SCHEMBL5325552

SCHEMBL5325552

C/C=C\c1ccccc1C(CC)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
GBA1 P04062 1/20 0.33
ELANE P08246 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
SCHEMBL330826 0.82 MIF (0.44) MIF
SCHEMBL13074295 0.80 GBA1 (0.31) MIFGBA1
SCHEMBL5607730 0.74 MIF (0.39) MIF
SCHEMBL11431709 0.72 CYP2C9 (0.42) MIF
SCHEMBL17160030 0.72 TSHR (0.52) GBA1ELANE
SCHEMBL31348026 0.72 TSHR (0.52) GBA1ELANE
SCHEMBL23527558 0.70 CYP3A4 (0.35) MIF
SCHEMBL21259588 0.70 CYP3A4 (0.35) MIF
SCHEMBL3477372 0.70 MIF (0.33) MIF
SCHEMBL727626 0.70 MIF (0.67) MIF

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
WO-2007088152-A1 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2007-08-09 WO disclosed