SCHEMBL8218930

SCHEMBL8218930

COCCCN1C(=O)C(C)(C)Oc2ccc(CO[C@@H]3CCC(CC(C)(C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL4506150 1.00 REN (0.35) RENHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL8001573 0.93 REN (0.31) REN
SCHEMBL4497706 0.93 REN (0.31) REN
SCHEMBL4518167 0.92 REN (0.32) RENCYP2C9
SCHEMBL4518166 0.92 REN (0.32) RENCYP2C9
SCHEMBL8227900 0.90 REN (0.38) RENHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL4508789 0.90 REN (0.38) RENHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL13607672 0.89
SCHEMBL4511682 0.88 GSK3B (0.30)
SCHEMBL4498325 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed