SCHEMBL8544602

SCHEMBL8544602

COc1cc(OC)c(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
APP P05067 3/20 0.49
PTPN1 P18031 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
CTSK P43235 1/20 0.47
PTGER4 P35408 2/20 0.47
FKBP1A P62942 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
SCHEMBL8548463 0.91 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8544523 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8546908 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8544347 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8549486 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8548313 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8548137 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL8542696 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AAPP
SCHEMBL8544585 0.84 CTSK (0.47) ALDH1A1SMN1; SMN2KMT2ACTSKFKBP1A
SCHEMBL8544595 0.84 CTSK (0.47) ALDH1A1SMN1; SMN2KMT2ACTSKFKBP1A

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