SCHEMBL8549486

SCHEMBL8549486

COc1ccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTSK P43235 1/20 0.56
PTGER4 P35408 2/20 0.54
F2 P00734 2/20 0.53
PKM P14618 2/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL8544624 0.91 PTGER4 (0.57) ALDH1A1SMN1; SMN2PTGER4F2PKM
SCHEMBL8543317 0.89 F2 (0.58) ALDH1A1SMN1; SMN2CTSKPTGER4F2
SCHEMBL8548137 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2PTGER4F2PKM
SCHEMBL8548694 0.89 PTGER4 (0.66) ALDH1A1SMN1; SMN2PTGER4F2PKM
SCHEMBL8549169 0.88 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CTSKPTGER4F2
SCHEMBL8548491 0.88 PTGER4 (0.52) ALDH1A1SMN1; SMN2CTSKPTGER4F2
SCHEMBL8548845 0.87 F2 (0.56) ALDH1A1SMN1; SMN2PTGER4F2PKM
SCHEMBL8545019 0.86 F2 (0.56) ALDH1A1SMN1; SMN2PTGER4F2PKM
SCHEMBL8543073 0.86 F2 (0.56) ALDH1A1SMN1; SMN2CTSKPTGER4F2
SCHEMBL8544635 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PTGER4F2PKM

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