SCHEMBL8544624

SCHEMBL8544624

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.57
F2 P00734 4/20 0.54
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
FKBP1A P62942 1/20 0.49
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
POLB P06746 1/20 0.48
AADAT Q8N5Z0 1/20 0.48

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
SCHEMBL8548694 0.92 PTGER4 (0.66) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8544655 0.91 PTGER4 (0.52) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8549486 0.91 ALDH1A1 (0.56) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8543317 0.90 F2 (0.58) PTGER4F2ALDH1A1CYP3A4CYP2C9
SCHEMBL8548491 0.89 PTGER4 (0.52) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8548845 0.88 F2 (0.56) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8544635 0.87 ALDH1A1 (0.64) PTGER4F2HDAC1HDAC2ALDH1A1
SCHEMBL8545019 0.87 F2 (0.56) PTGER4F2HDAC1HDAC2HDAC3
SCHEMBL8549169 0.87 CYP3A4 (0.64) PTGER4F2ALDH1A1CYP3A4CYP2C9
SCHEMBL8543073 0.87 F2 (0.56) PTGER4F2HDAC1HDAC2HDAC3

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