SCHEMBL8548491

SCHEMBL8548491

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.52
F2 P00734 5/20 0.52
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 1/20 0.50
FKBP1A P62942 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTSK P43235 2/20 0.44

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
SCHEMBL8545355 0.90 ALDH1A1 (0.51) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8543317 0.89 F2 (0.58) PTGER4F2ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL8544624 0.89 PTGER4 (0.57) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8549486 0.88 ALDH1A1 (0.56) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8548694 0.87 PTGER4 (0.66) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8548486 0.86 CTSK (0.46) HDAC1HDAC2ALDH1A1SMN1; SMN2HDAC3
SCHEMBL8548482 0.86 CTSK (0.46) HDAC1HDAC2ALDH1A1SMN1; SMN2HDAC3
SCHEMBL8548845 0.85 F2 (0.56) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8548880 0.85 ALDH1A1 (0.54) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8544635 0.84 ALDH1A1 (0.64) PTGER4F2HDAC1HDAC2ALDH1A1

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