SCHEMBL22794243

SCHEMBL22794243

CC(C)NCCOCCOCCOCCNC(=O)CCCCCCCCOC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DEGS1 O15121 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.39
GLP1R P43220 6/20 0.38
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25108868 1.00 ALDH1A1 (0.42) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25109337 0.95 EPHX2 (0.48) ALDH1A1EPHX2LMNAKMT2ADEGS1
SCHEMBL25468398 0.91 EPHX2 (0.48) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25468400 0.91 EPHX2 (0.48) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25110465 0.91 EPHX2 (0.48) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25110997 0.91 EPHX2 (0.48) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25109404 0.87 EPHX2 (0.45) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL24514526 0.87 KMT2A (0.45) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL25110485 0.87 TSHR (0.49) ALDH1A1EPHX2LMNAKMT2AMEN1
SCHEMBL22794639 0.87 EPHX2 (0.43) ALDH1A1EPHX2LMNAKMT2AMEN1

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-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed