SCHEMBL22848872

SCHEMBL22848872

CCCN1CCC2(CC1)CC(CC)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 7/20 0.33
EPHX1 P07099 2/20 0.33
EPHX2 P34913 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD3 P35462 2/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24673601 0.86 KDM4E (0.38) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL15113488 0.83 TSHR (0.39) KDM4EEPHX1EPHX2TSHR
SCHEMBL26228251 0.82 L3MBTL1 (0.37) KDM4EDRD2EPHX1EPHX2
SCHEMBL15113496 0.81 NCF1 (0.33) TSHR
SCHEMBL25706920 0.80 EPHX1 (0.38) KDM4EEPHX1EPHX2
SCHEMBL21107507 0.80 KDM4E (0.43) KDM4EDRD2CYP1A2CYP2D6ALOX15
SCHEMBL21733145 0.80 KDM4E (0.39) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL14942381 0.80 KDM4E (0.42) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL24848351 0.79 PRMT6 (0.35) KDM4EEPHX1EPHX2
SCHEMBL24608220 0.79 KDM4E (0.34) KDM4ECYP2D6

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
WO-2021133920-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 WO disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed