SCHEMBL9635522

SCHEMBL9635522

CCOC(=O)[C@H]1CC(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
FKBP1A P62942 2/20 0.39
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL2704430 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2682785 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2572678 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL116396 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2202494 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL3041685 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL7807921 0.89 POLB (0.47) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL19262949 0.89 CYP3A4 (0.46) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL7811172 0.89 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL117368 0.89 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19CHRM2

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-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed