SCHEMBL7299784

SCHEMBL7299784

CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
GPR119 Q8TDV5 5/20 0.49
RECQL P46063 1/20 0.49
EPHX1 P07099 1/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP30 Q70CQ3 1/20 0.47
PIK3CD O00329 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6988508 1.00 HPGD (0.51) HPGDGPR119RECQLEPHX1USP2
SCHEMBL2566080 0.93 HPGD (0.54) HPGDGPR119RECQLEPHX1USP2
SCHEMBL3955730 0.91 HPGD (0.52) HPGDGPR119RECQLEPHX1USP2
SCHEMBL13219346 0.87 HPGD (0.51) HPGDGPR119RECQLEPHX1USP2
SCHEMBL17392565 0.87 HPGD (0.51) HPGDGPR119RECQLEPHX1USP2
SCHEMBL65675 0.87 HPGD (0.51) HPGDGPR119RECQLEPHX1USP2
SCHEMBL690145 0.86 NR1H2 (0.50) HPGDGPR119RECQLEPHX1USP2
SCHEMBL9836659 0.86 HPGD (0.50) HPGDGPR119RECQLEPHX1USP2
SCHEMBL21938019 0.86 HPGD (0.50) HPGDGPR119RECQLEPHX1USP2
SCHEMBL2526467 0.86 HPGD (0.50) HPGDGPR119RECQLEPHX1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed