SCHEMBL6754113

SCHEMBL6754113

Nc1ccc(-c2ccco2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
POLB P06746 2/20 0.61
GLA P06280 1/20 0.61
TSHR P16473 1/20 0.61
CFTR P13569 5/20 0.56
TAAR1 Q96RJ0 1/20 0.46
ADORA2A P29274 3/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL3362934 0.79 GAA (0.70) GAAPOLBGLATSHRCFTR
SCHEMBL15695597 0.78 TAAR1 (0.55) GAAPOLBTSHRCFTRTAAR1
SCHEMBL17451259 0.78 TSHR (1.00) GAAPOLBGLATSHRKDM4E
SCHEMBL29350569 0.78 TSHR (1.00) GAAPOLBGLATSHRKDM4E
SCHEMBL109685 0.78 TSHR (1.00) GAAPOLBGLATSHRKDM4E
SCHEMBL6873928 0.77 TAAR1 (0.53) GAAPOLBCFTRTAAR1ADORA2A
SCHEMBL16401835 0.77 PIK3R1 (0.56) GAAPOLBTSHRCFTRPIK3R1
Hydrochloric Acid SCHEMBL8642589 0.76 TSHR (0.95) GAAPOLBGLATSHRKDM4E
Water SCHEMBL20506731 0.76 TSHR (0.95) GAAPOLBGLATSHRKDM4E
Ammonia Solution, Strong SCHEMBL6812982 0.76 TSHR (0.95) GAAPOLBGLATSHRKDM4E

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
EP-2729519-B1 AROMATIC POLYAMIDE FILMS FOR SOLVENT RESISTANT FLEXIBLE SUBSTRATES AKRON POLYMER SYSTEMS INC (US) 2019-05-15 EP claimed
EP-1399163-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-03-24 EP disclosed
WO-2002055025-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2002-07-18 WO disclosed