SCHEMBL8548111

SCHEMBL8548111

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
PTGER4 P35408 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FKBP1A P62942 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.47
AADAT Q8N5Z0 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL8548313 0.89 ALDH1A1 (0.62) ALDH1A1PTGER4SMN1; SMN2FKBP1AMEN1
SCHEMBL8548880 0.86 ALDH1A1 (0.54) ALDH1A1PTGER4SMN1; SMN2FKBP1AMEN1
SCHEMBL8544624 0.85 PTGER4 (0.57) ALDH1A1PTGER4SMN1; SMN2FKBP1ACYP3A4
SCHEMBL8548100 0.84 NPSR1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8548109 0.84 NPSR1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8545367 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL8544655 0.83 PTGER4 (0.52) ALDH1A1PTGER4SMN1; SMN2FKBP1AMEN1
SCHEMBL8544523 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL8543317 0.81 F2 (0.58) ALDH1A1PTGER4SMN1; SMN2FKBP1ACYP3A4
SCHEMBL8544347 0.81 ALDH1A1 (0.65) ALDH1A1PTGER4SMN1; SMN2FKBP1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed