SCHEMBL21290845

SCHEMBL21290845

CCN1CC[C@@H](NC(=O)OC)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.40
CTSK P43235 2/20 0.40
GAA P10253 2/20 0.40
MCHR1 Q99705 1/20 0.40
KDM5A P29375 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL8418348 1.00 KDM4E (0.46) KDM4EMEN1MAPTKMT2AEPHX1
SCHEMBL12217514 1.00 KDM4E (0.46) KDM4EMEN1MAPTKMT2AEPHX1
SCHEMBL12233213 0.85 TSHR (0.38) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12217720 0.85 HSD11B1 (0.44) KDM4EMEN1MAPTKMT2AEPHX1
SCHEMBL12218567 0.85 HSD11B1 (0.44) KDM4EMEN1MAPTKMT2AEPHX1
SCHEMBL12321230 0.84 CTSK (0.59) CTSK
SCHEMBL3544236 0.84 CTSK (0.59) CTSK
SCHEMBL3942865 0.84 CTSK (0.59) CTSK
SCHEMBL28232383 0.83 MCHR1 (0.41) KDM4EMEN1MAPTKMT2ACTSK
SCHEMBL8280845 0.82 CA1 (0.47) KDM4EMEN1MAPTKMT2AEPHX1

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-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO disclosed