SCHEMBL7776352

SCHEMBL7776352

Fc1ccc(OC2CCCCO2)cc1.Fc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
TNK2 Q07912 3/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
DHFR P00374 1/20 0.38
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7236815 1.00 TRPA1 (0.44) TRPA1L3MBTL1TNK2EPHX2MEN1
SCHEMBL13131110 0.92 TRPA1 (0.40) TRPA1L3MBTL1TNK2EPHX2MEN1
SCHEMBL13130994 0.91 TRPA1 (0.39) TRPA1L3MBTL1TNK2EPHX2MEN1
SCHEMBL7416683 0.91 TRPA1 (0.39) TRPA1L3MBTL1TNK2EPHX2MEN1
SCHEMBL3500438 0.91 TNK2 (0.44) L3MBTL1TNK2MEN1KMT2ADHFR
SCHEMBL7425274 0.85 L3MBTL1 (0.36) TRPA1L3MBTL1TNK2EPHX2MEN1
SCHEMBL1714946 0.83 LTA4H (0.40) TNK2EPHX2MEN1KMT2ADHFR
SCHEMBL813805 0.82 NPC1 (0.46) L3MBTL1TNK2MEN1KMT2ADHFR
SCHEMBL222919 0.82 MEN1 (0.43) TNK2MEN1KMT2ADHFRHSD11B1
SCHEMBL8080838 0.82 TNK2 (0.40) L3MBTL1TNK2MEN1KMT2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed