SCHEMBL22223441

SCHEMBL22223441

CC1CC(=O)N(CCCCCC(=O)NCC(NC(=O)CCCCCCCCCCCCCCCC(C(=O)O)P(=O)(O)O)C(=O)O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.41
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NOD1 Q9Y239 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL22223435 1.00 FOLH1 (0.41) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL22223438 0.90 FOLH1 (0.40) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL24589101 0.90 FOLH1 (0.39) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL24589100 0.89 FOLH1 (0.39) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL22223335 0.89 FOLH1 (0.43) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL22223311 0.87 FOLH1 (0.44) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL24589067 0.83 FOLH1 (0.36) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL24588972 0.82 PTGS1 (0.42) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL24589216 0.82 FOLH1 (0.39) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD
SCHEMBL22223369 0.82 FOLH1 (0.39) FOLH1ITGB3ITGA2BSMN1; SMN2HPGD

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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