SCHEMBL22223387

SCHEMBL22223387

CC1CC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 3/20 0.39
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL24589220 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTEPHX2KDM4E
SCHEMBL24228172 0.84 SMN1; SMN2 (0.35) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL24435629 0.81 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTKDM4EHDAC3
SCHEMBL22223342 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTEPHX2KDM4E
SCHEMBL22223343 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTEPHX2KDM4E
SCHEMBL23179896 0.74 SIGMAR1 (0.36) SMN1; SMN2HPGDHTTFAAHMEN1
SCHEMBL22688034 0.71 PAOX (0.33)
SCHEMBL24588450 0.71 HDAC3 (0.46) SMN1; SMN2HPGDHTTEPHX2KDM4E
SCHEMBL24589222 0.71 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTEPHX2KDM4E
SCHEMBL24588472 0.71 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTEPHX2KDM4E

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-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 WO disclosed