SCHEMBL8545355

SCHEMBL8545355

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(OC(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
PTGER4 P35408 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
F2 P00734 3/20 0.47
FKBP1A P62942 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8544655 0.90 PTGER4 (0.52) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A
SCHEMBL8548491 0.90 PTGER4 (0.52) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A
SCHEMBL8548137 0.89 ALDH1A1 (0.59) ALDH1A1PTGER4SMN1; SMN2F2CYP3A4
SCHEMBL8543641 0.89 HDAC1 (0.55) ALDH1A1PTGER4SMN1; SMN2HDAC1HDAC2
SCHEMBL8545352 0.86 KMT2A (0.46) ALDH1A1KMT2AMEN1
SCHEMBL8545349 0.86 KMT2A (0.46) ALDH1A1KMT2AMEN1
SCHEMBL8543317 0.85 F2 (0.58) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A
SCHEMBL8548880 0.83 ALDH1A1 (0.54) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A
SCHEMBL8544624 0.83 PTGER4 (0.57) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A
SCHEMBL8546458 0.83 ACHE (0.53) ALDH1A1PTGER4SMN1; SMN2F2FKBP1A

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