SCHEMBL22969982

SCHEMBL22969982

CC1CC(=O)N(CCCC(=O)NCCOCCOCCNC(=O)CCCN2C(=O)CC(C(C)(C)C)C2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TP53 P04637 2/20 0.34
▸ 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
▸ PDE6D O43924 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31

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
SCHEMBL23181274 0.96 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL23180190 0.96 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL23690558 0.95 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL23181275 0.91 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL25100621 0.90 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL25100480 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL15146938 0.87 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL14870351 0.87 HTT (0.46) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL25100617 0.87 HPGD (0.40) SMN1; SMN2HPGDHTTTP53HDAC3
SCHEMBL20647310 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTTP53HDAC3

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-2021022678-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 烟台迈百瑞国际生物医药股份有限公司 2021-02-11 — — WO disclosed
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