SCHEMBL9080436

SCHEMBL9080436

O=C(CC1CCCCC1)Oc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
POLB P06746 1/20 0.47
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.46
MIF P14174 4/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27779371 0.98 HPGD (0.56) HPGDPOLBCA2EPHX2MIF
SCHEMBL4105896 0.85 HPGD (0.54) HPGDPOLBEPHX2ALDH1A1
SCHEMBL8862347 0.83 HPGD (0.47) HPGDPOLBCA2EPHX2
SCHEMBL9586021 0.83 HPGD (0.53) HPGDCA2EPHX2MIFKMT2A
SCHEMBL28841579 0.83 HPGD (0.53) HPGDPOLBCA2EPHX2KMT2A
SCHEMBL9336422 0.82 HPGD (0.52) HPGDPOLBCA2EPHX2MAPT
SCHEMBL8634918 0.80 HPGD (0.51) HPGDPOLBCA2EPHX2KMT2A
SCHEMBL10801546 0.78 CA2 (0.48) HPGDPOLBCA2EPHX2KMT2A
SCHEMBL8636310 0.77 HPGD (0.49) HPGDPOLBCA2EPHX2KMT2A
SCHEMBL9079270 0.76 MIF (0.43) HPGDMIFKMT2AMAPTALDH1A1

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-5576332-A Soft β-drenegic blocking agents IVAX International GmbH (CH) 1996-11-19 US disclosed
US-5482961-A Soft β-adrenergic blocking agents IVAX International GmbH (CH) 1996-01-09 US disclosed