SCHEMBL8549131

SCHEMBL8549131

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.55
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
F2 P00734 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGER4 P35408 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
MMEL1 Q495T6 1/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 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
SCHEMBL8545031 0.88 ALDH1A1 (0.61) FKBP1AALDH1A1SMN1; SMN2F2CYP3A4
SCHEMBL21264926 0.88 MMEL1 (0.49) FKBP1AALDH1A1SMN1; SMN2F2CYP3A4
SCHEMBL21264915 0.88 MMEL1 (0.49) FKBP1AALDH1A1SMN1; SMN2F2CYP3A4
SCHEMBL8544795 0.85 FKBP1A (0.59) FKBP1AALDH1A1SMN1; SMN2F2CYP3A4
SCHEMBL14836855 0.85 MMEL1 (0.52) FKBP1AALDH1A1SMN1; SMN2CYP2C19MMEL1
SCHEMBL22652992 0.85 F2 (0.47) FKBP1AALDH1A1SMN1; SMN2F2PTGER4
SCHEMBL21264916 0.85 KMT2A (0.50) FKBP1AALDH1A1SMN1; SMN2F2MMEL1
SCHEMBL21264924 0.85 KMT2A (0.50) FKBP1AALDH1A1SMN1; SMN2F2MMEL1
SCHEMBL8549125 0.84 NPSR1 (0.48) FKBP1AALDH1A1SMN1; SMN2HDAC1HDAC2
SCHEMBL8549128 0.84 NPSR1 (0.48) FKBP1AALDH1A1SMN1; SMN2HDAC1HDAC2

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 6 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
JP-6041064-A None JP disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
JP-H0641064-A 2-OXOETHYL DERIVATIVE MILES INC 1994-02-15 JP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed