SCHEMBL7464234

SCHEMBL7464234

NC(=O)CCC1Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.42
AOC2 O75106 5/20 0.41
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
CA2 P00918 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4522017 0.86 HTT (0.63) HTTHRH3AOC2MAOAMAOB
SCHEMBL17761374 0.84 HRH3 (0.43) HTTHRH3AOC2MAOAMAOB
SCHEMBL8026169 0.78 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL11535632 0.78 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8035976 0.78 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8038140 0.78 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
Hydrochloric Acid SCHEMBL11028252 0.77 HTT (0.73) HTTHPGDTSHRALOX5CA2
SCHEMBL24113076 0.76 HTT (0.46) HTTHRH3AOC2MAOAMAOB
SCHEMBL7270698 0.76 HRH3 (0.44) HTTHRH3AOC2MAOAMAOB
SCHEMBL31061821 0.76 HTT (0.46) HTTHRH3AOC2MAOAMAOB

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-1112261-B1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S A (FR) 2002-04-10 EP disclosed
EP-1112261-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S.A. (FR) 2001-07-04 EP disclosed
WO-2000015624-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE, SOCIETE ANONYME (FR) 2000-03-23 WO disclosed