SCHEMBL2158902

SCHEMBL2158902

C=CC(=O)OC(F)(F)C(F)(F)C(F)CCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 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
SCHEMBL17159426 0.91 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28383974 0.90 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2785988 0.89 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4463492 0.86 TSHR (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9312011 0.85 TSHR (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL36392 0.85 TSHR (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28477270 0.84 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1685978 0.84
Methane SCHEMBL29229975 0.83 TSHR (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Charcoal, Activated SCHEMBL30874262 0.83 TSHR (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183867-A1 Polymer arrays for biofilm adhesion testing UNIVERSITY OF NOTTINGHAM (GB) 2011-07-28 US disclosed
EP-2175980-A2 POLYMER ARRAYS FOR BIOFILM ADHESION TESTING University Of Nottingham (GB) 2010-04-21 EP disclosed
WO-2009019519-A2 POLYMER ARRAYS FOR BIOFILM ADHESION TESTING UNIVERSITY OF NOTTINGHAM (GB) 2009-02-12 WO disclosed