SCHEMBL3654641

SCHEMBL3654641

C=CCC1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1NC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
EPHX2 P34913 1/20 0.34
KRAS P01116 2/20 0.34
RORC P51449 3/20 0.33
NAMPT P43490 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 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
SCHEMBL764140 0.78 BACE1 (0.39) RORCMEN1ALDH1A1KMT2A
SCHEMBL12802260 0.77 USP2 (0.40) NR1H2EPHX2EPHX1USP2SMN1; SMN2
SCHEMBL344587 0.76 NR1H2 (0.34) NR1H2RORCUSP2SMN1; SMN2MEN1
SCHEMBL25185104 0.74 NR1H2 (0.40) NR1H2EPHX2RORCEPHX1USP2
SCHEMBL10150809 0.74 USP2 (0.40) NR1H2EPHX2RORCUSP2SMN1; SMN2
SCHEMBL21685747 0.73 PDE4B (0.44) RORCSMN1; SMN2MEN1KMT2AF13A1
SCHEMBL29217880 0.73 USP2 (0.39) NR1H2EPHX2EPHX1USP2SMN1; SMN2
SCHEMBL6143073 0.72 NR1H2 (0.35) NR1H2EPHX2KRASEPHX1USP2
SCHEMBL17107692 0.72 EPHX1 (0.39) NR1H2EPHX2RORCNAMPTEPHX1
SCHEMBL20474675 0.72 PKM (0.36) NR1H2EPHX2EPHX1USP2SMN1; SMN2

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
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed