SCHEMBL8936775

SCHEMBL8936775

Cc1cc(Cl)ccc1Oc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.55
SLC6A4 P31645 5/20 0.55
SLC6A3 Q01959 3/20 0.55
ESRRA P11474 1/20 0.52
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
RHEB Q15382 1/20 0.42
SCN4A P35499 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 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
SCHEMBL4441083 0.83 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3MEN1MAPT
SCHEMBL4365850 0.81 ALDH1A1 (0.58) SLC6A2SLC6A4ESRRAMEN1KMT2A
SCHEMBL7220532 0.81 ESRRA (0.46) ESRRAHPGDALDH1A1KDM4ECYP2A6
SCHEMBL11029113 0.81 ESRRA (0.43) ESRRAHPGDCYP1A2ALDH1A1CYP2A6
SCHEMBL807773 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3MEN1MAPT
SCHEMBL8936781 0.77 ESRRA (0.43) SLC6A2SLC6A4SLC6A3ESRRAMEN1
Ethane SCHEMBL10636467 0.76 HTR1B (0.50) SLC6A4ESRRAMAPTL3MBTL1HPGD
SCHEMBL442767 0.76 HTR1B (0.54) SLC6A4ESRRAMEN1MAPTKMT2A
SCHEMBL29577853 0.76 HTR1B (0.54) SLC6A4ESRRAMEN1MAPTKMT2A
SCHEMBL8936827 0.75 HTT (0.67) SLC6A2SLC6A4SLC6A3MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed