SCHEMBL8548137

SCHEMBL8548137

COc1cccc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PTGER4 P35408 2/20 0.52
PKM P14618 3/20 0.49
GFER P55789 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C19 P33261 1/20 0.48
F2 P00734 1/20 0.47

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 0.91 PTGER4 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2APTGER4
SCHEMBL8543641 0.89 HDAC1 (0.55) ALDH1A1SMN1; SMN2PTGER4
SCHEMBL8545355 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APTGER4
SCHEMBL8549486 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APTGER4
SCHEMBL8543317 0.86 F2 (0.58) ALDH1A1SMN1; SMN2PTGER4PKMCYP3A4
SCHEMBL8548127 0.86 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8548133 0.86 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL21696906 0.85 PTGER4 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APTGER4
SCHEMBL8546908 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2APTGER4
SCHEMBL8544523 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APKM

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