SCHEMBL8544655

SCHEMBL8544655

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
F2 P00734 3/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FKBP1A P62942 1/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
AADAT Q8N5Z0 1/20 0.46

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
SCHEMBL8548137 0.91 ALDH1A1 (0.59) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8544624 0.91 PTGER4 (0.57) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8543641 0.90 HDAC1 (0.55) PTGER4ALDH1A1SMN1; SMN2POLBHDAC1
SCHEMBL8545355 0.90 ALDH1A1 (0.51) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8543317 0.87 F2 (0.58) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8544653 0.86 ERCC5 (0.49) PKMERCC5FEN1MEN1KMT2A
SCHEMBL8544642 0.86 ERCC5 (0.49) PKMERCC5FEN1MEN1KMT2A
SCHEMBL8546458 0.85 ACHE (0.53) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL21696906 0.84 PTGER4 (0.51) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8548694 0.83 PTGER4 (0.66) PTGER4ALDH1A1SMN1; SMN2CYP3A4CYP2C9

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