SCHEMBL31031977

SCHEMBL31031977

CC(C)(C)C(C(=O)NCCOCCOCCOCCOCCOC(N)=O)N1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKT1 P31749 1/20 0.33
▸ TLR2 O60603 1/20 0.32
▸ TACR2 P21452 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGER3 P43115 1/20 0.30
▸ CA2 P00918 3/20 0.30

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
SCHEMBL17841867 0.85 MEN1 (0.40) MEN1KMT2AAKT1TLR2TACR2
SCHEMBL20591089 0.76 CA12 (0.33) CA2
SCHEMBL20677260 0.72 MGLL (0.40) SMN1; SMN2CA2
SCHEMBL21408701 0.69 MEN1 (0.47) MEN1KMT2ASMN1; SMN2PTGER3CA2
SCHEMBL20677174 0.68 KIF11 (0.36) MEN1KMT2ATLR2TACR2CA2
SCHEMBL20677208 0.67 HTT (0.47) SMN1; SMN2CA2
SCHEMBL28503407 0.67 MAOA (0.48) MEN1KMT2ACA2
SCHEMBL19493077 0.66 MGLL (0.69) SMN1; SMN2CA2
SCHEMBL28547221 0.66 MGLL (0.69) SMN1; SMN2CA2
SCHEMBL28894450 0.66 MGLL (0.43) SMN1; SMN2CA2

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
EP-4406606-A2 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE G Bayer Pharma Aktiengesellschaft (DE) 2024-07-31 — — EP disclosed
Send feedback