SCHEMBL8823701

SCHEMBL8823701

COc1ccc(F)c(O)c1C=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.54
ALDH1A1 P00352 3/20 0.49
AOX1 Q06278 1/20 0.49
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL29958418 1.00 ERN1 (0.54) ERN1ALDH1A1AOX1TLR2TLR1
SCHEMBL1477693 0.85 ERN1 (0.64) ERN1ALDH1A1AOX1TLR2TLR1
SCHEMBL2750347 0.84 ERN1 (0.72) ERN1ALDH1A1AOX1TLR2TLR1
SCHEMBL911855 0.81 ERN1 (0.44) ERN1ALDH1A1AOX1HPGDTSHR
SCHEMBL14616501 0.79 ERN1 (0.56) ERN1ALDH1A1AOX1TLR2TLR1
SCHEMBL4540717 0.79 ERN1 (0.43) ERN1ALDH1A1AOX1HPGDTSHR
SCHEMBL28057376 0.79 ERN1 (0.43) ERN1ALDH1A1AOX1HPGDTSHR
SCHEMBL24677781 0.78 ERN1 (0.50) ERN1ALDH1A1AOX1TLR2TLR1
SCHEMBL17841472 0.78 ERN1 (0.50) ERN1ALDH1A1AOX1HPGDTSHR
SCHEMBL20480779 0.78 ERN1 (0.74) ERN1ALDH1A1AOX1TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656657-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-08-12 US disclosed
US-5656658-A Method for the treatment of anxiety ASTRA AKTIEBOLAG (SE) 1997-08-12 US disclosed
US-5650524-A Process for preparing (R)-3-amino-5-methoxychroman ASTRA AKTIEBOLAG (SE) 1997-07-22 US disclosed
US-5646309-A Intermediates in the synthesis of chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-07-08 US disclosed
US-5641807-A Method for the treatment of depression ASTRA AKTIEBOLAG (SE) 1997-06-24 US disclosed
US-5639784-A ADMINISTERING 3-AMINO-5-CARBAMOYL-CHROMENES AND DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
US-5639772-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
US-5500425-A Chroman derivatives and a method of treating 5-HT mediated disorders AKTIEBOLAGET ASTRA (SE) 1996-03-19 US disclosed
US-5420151-A Chroman derivatives AKTIEBOLAGET ASTRA (SE) 1995-05-30 US disclosed