SCHEMBL245898

SCHEMBL245898

CC(C(=O)OCC1CCO1)=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
PDK1 Q15118 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9728295 0.86 ALDH1A1 (0.62) ALDH1A1TP53CYP3A4
SCHEMBL247377 0.83 ALDH1A1 (0.33) ALDH1A1LMNAPOLB
SCHEMBL244871 0.79 ALDH1A1 (0.73) ALDH1A1LMNAPOLBPDK1TP53
SCHEMBL5013481 0.77
SCHEMBL246723 0.77 ALDH1A1 (0.47) ALDH1A1LMNAPOLBPDK1TP53
SCHEMBL7624233 0.74 LMNA (0.53) ALDH1A1LMNAPOLBNPSR1
SCHEMBL2271995 0.73 LMNA (0.41) ALDH1A1LMNAPOLBPDK1TP53
SCHEMBL17627797 0.72 ALDH1A1 (0.50) ALDH1A1LMNAPOLBPDK1TP53
SCHEMBL27848264 0.71 ALDH1A1 (0.67) ALDH1A1LMNAPOLBTP53CYP3A4
SCHEMBL36133 0.71 ALDH1A1 (0.67) ALDH1A1LMNAPOLBTP53CYP3A4

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-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed