SCHEMBL8544266

SCHEMBL8544266

O=C(NCc1ccccc1)[C@@H]1CCCN1CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
FKBP1A P62942 2/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
F2 P00734 2/20 0.48
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
P2RX7 Q99572 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGER4 P35408 2/20 0.46
HSD11B1 P28845 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL8549494 0.89 ALDH1A1 (0.56) HPGDCYP3A4CYP2C9PKMCYP2C19
SCHEMBL8549705 0.87 PKM (0.54) PKMALDH1A1SMN1; SMN2F2EPHX2
SCHEMBL8546687 0.85 MAPK1 (0.57) CYP3A4CYP2C9PKMCYP2C19FKBP1A
SCHEMBL8543196 0.85 HSD11B1 (0.62) PKMALDH1A1SMN1; SMN2P2RX7MEN1
SCHEMBL8544843 0.84 P2RX7 (0.59) HPGDCYP3A4CYP2C9PKMCYP2C19
SCHEMBL8543051 0.83 RAB9A (0.56) HPGDCYP2C19ALDH1A1SMN1; SMN2POLB
SCHEMBL8544264 0.83 HSD11B1 (0.46) HPGDFKBP1AALDH1A1MAPK1P2RX7
SCHEMBL8544257 0.83 HSD11B1 (0.46) HPGDFKBP1AALDH1A1MAPK1P2RX7
SCHEMBL8544795 0.82 FKBP1A (0.59) HPGDCYP3A4CYP2C9PKMCYP2C19
SCHEMBL8549405 0.80 CYP3A4 (0.52) CYP3A4CYP2C9PKMCYP2C19FKBP1A

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