SCHEMBL22223437

SCHEMBL22223437

CC1CC(=O)N(CCCCCC(=O)NC[C@@H](NC(=O)CC(C)(C)CC(C)(C)CC(=O)O)C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 13/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22223439 1.00 FOLH1 (0.38) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL22223311 0.87 FOLH1 (0.44) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL24589216 0.84 FOLH1 (0.39) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL22223369 0.84 FOLH1 (0.39) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL22223324 0.83 PTGS1 (0.44) FOLH1SMN1; SMN2HPGDHTTITGB3
SCHEMBL22223482 0.83 PTGS1 (0.44) FOLH1SMN1; SMN2HPGDHTTITGB3
SCHEMBL22223335 0.83 FOLH1 (0.43) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL24589218 0.79 FOLH1 (0.43) FOLH1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL22223435 0.79 FOLH1 (0.41) FOLH1SMN1; SMN2HPGDHTTITGB3
SCHEMBL22223441 0.79 FOLH1 (0.41) FOLH1SMN1; SMN2HPGDHTTITGB3

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
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