SCHEMBL5367742

SCHEMBL5367742

F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
ABCC4 O15439 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FFAR1 O14842 2/20 0.42
POLB P06746 2/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40

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
SCHEMBL5367739 1.00 LMNA (0.50) LMNAGAATSHRABCC4PTGS1
SCHEMBL3778952 1.00 LMNA (0.50) LMNAGAATSHRABCC4PTGS1
SCHEMBL7579874 0.92 CA2 (0.56) LMNAGAATSHRABCC4PTGS1
Hydrochloric Acid SCHEMBL3246857 0.90 CA2 (0.54) LMNAGAATSHRABCC4PTGS1
SCHEMBL9009475 0.82 FFAR1 (0.53) LMNACA2FFAR1
SCHEMBL7168345 0.76 TSHR (0.37) TSHRPTGS1CA2
Phenylacetic Acid SCHEMBL27754933 0.76 AKR1B1 (0.81) LMNAGAATSHRABCC4PTGS1
SCHEMBL6870559 0.76 ALDH1A1 (0.38) TSHRALDH1A1HPGDHSD17B10TDP1
SCHEMBL240289 0.75 TSHR (0.50) TSHRCA2ALDH1A1
Phenylacetic Acid SCHEMBL29232071 0.75 AKR1B1 (0.71) LMNAGAATSHRABCC4PTGS1

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-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US disclosed
US-20020144912-A1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2002-10-10 US disclosed
US-6435240-B1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-08-20 US disclosed