SCHEMBL4450908

SCHEMBL4450908

OCc1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 2/20 0.45
TAAR1 Q96RJ0 2/20 0.44
GAA P10253 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.39
RNASEH1 O60930 1/20 0.39
CALM1 P0DP23 1/20 0.38
DAO P14920 1/20 0.38
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1723556 0.87 TAAR1 (0.48) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL9006306 0.86 TDP1 (0.44) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL4081720 0.86 TAAR1 (0.41) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL6971045 0.83 NR1H2 (0.41) NR1H2NPC1RAB9ADAO
SCHEMBL28356909 0.82 KCNH2 (0.50) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL11298066 0.80 LTA4H (0.38) GAAKMT2ADAOALDH1A1HPGD
SCHEMBL6686949 0.80 VSIR (0.42) TAAR1KMT2A
SCHEMBL7665114 0.79 TAAR1 (0.42) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL725860 0.78 TAAR1 (0.41) NR1H2NR1H3TAAR1GAAHRH3
SCHEMBL11291862 0.78 TAAR1 (0.49) TAAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
EP-1771182-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-04-11 EP disclosed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
US-RE30511-E ENZYME INHIBITOR, HERBICIDE, CYCLIZATION AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed
US-4124766-A INTERMEDIATES FOR PHOSPHODIESTERASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-11-07 US disclosed
US-4107307-A ENZYME INHIBITORS, HERBICIDES, RING CLOSURE AMERICAN CYANAMID COMPANY (US) 1978-08-15 US disclosed