SCHEMBL7703634

SCHEMBL7703634

CCCc1c(F)ccc(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.50
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35

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
SCHEMBL3881959 0.82 CYSLTR2 (0.43) ERN1CYSLTR2CYSLTR1TLR2TLR1
SCHEMBL3338705 0.79 TDP1 (0.36) ERN1CYSLTR2CYSLTR1
SCHEMBL13563242 0.79 F2RL1 (0.36) ERN1
SCHEMBL3337249 0.77 ERN1 (0.51) ERN1CYSLTR2CYSLTR1TLR2TLR1
SCHEMBL6230815 0.76 CNR1 (0.39)
SCHEMBL14237093 0.75 ERN1 (0.48) ERN1TLR2TLR1TLR6
SCHEMBL13924219 0.74 PRKCI (0.44)
SCHEMBL3881769 0.74 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL454110 0.73 ERN1 (0.72) ERN1
SCHEMBL23829701 0.72 HPGD (0.42) ERN1CYSLTR2CYSLTR1

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
CN-100347164-C Benzofuryl derivatives and their use HOFMMANN LA ROCHE AG F (CH) 2007-11-07 CN disclosed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
CN-1217720-A Benzofuryl derivatives and their use HOFMMANN LA ROCHE (CH) 1999-05-26 CN disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed