SCHEMBL2054396

SCHEMBL2054396

CCCCCc1nc2ccccc2cc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.55
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
STAT3 P40763 1/20 0.50
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 4/20 0.41

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
SCHEMBL133672 0.98 TLR8 (0.54) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL570984 0.95 TLR8 (0.54) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL168398 0.82 TLR8 (0.69) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL2514453 0.82 TLR8 (0.56) TLR8ALDH1A1HPGDGLAMAPT
SCHEMBL1326148 0.81 TLR8 (0.60) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL17179261 0.81 ALDH1A1 (0.58) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL28793625 0.81 TLR8 (0.68) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL9714713 0.81 TLR8 (0.55) TLR8ALDH1A1HPGDGLAMAPT
SCHEMBL17713567 0.81 TLR8 (0.63) TLR8
SCHEMBL28278237 0.81 TLR8 (0.55) TLR8ALDH1A1HPGDGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820967-B2 Methods and compositions for increasing antibiotic activity WOODS HOLE OCEANOGRAPHIC INSTITUTION (US) 2017-11-21 US disclosed
US-20160015686-A1 Methods and Compositions for Increasing Antibiotic Activity WOODS HOLE OCEANOGRAPHIC INSTITUTION (US) 2016-01-21 US disclosed
US-9074129-B2 Mechanochromic luminescent difluoroboron beta-diketonates UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-07-07 US disclosed
US-20130210053-A1 MECHANOCHROMIC LUMINESCENT DIFLUOROBORON BETA-DIKETONATES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-08-15 US disclosed
WO-2011068537-A2 MECHANOCHROMIC LUMINESCENT DIFLUOROBORON BETA-DIKETONATES FRASER CASSANDRA L (US) 2011-06-09 WO disclosed
US-6224863-B1 BACTERICIDE UNIVERSITY OF SOUTH CAROLINA 2001-05-01 US disclosed