SCHEMBL22223335

SCHEMBL22223335

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL22223311 0.92 FOLH1 (0.44) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL22223435 0.89 FOLH1 (0.41) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL22223441 0.89 FOLH1 (0.41) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL24588447 0.88 FOLH1 (0.42) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL24589168 0.88 FOLH1 (0.42) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL22223438 0.88 FOLH1 (0.40) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL24589086 0.87 FOLH1 (0.42) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL24589216 0.87 FOLH1 (0.39) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL22223369 0.87 FOLH1 (0.39) FOLH1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL22223439 0.83 FOLH1 (0.38) FOLH1SMN1; SMN2HPGDHTTALDH1A1

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
Send feedback