SCHEMBL24276104

SCHEMBL24276104

CCCCCC(=O)NC(C)Cc1ccc(OC(=O)CN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ UGCG Q16739 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL19682976 0.88 ITGB3 (0.47) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL19683215 0.78 ITGB3 (0.49) UGCGITGB3ITGA2B
SCHEMBL19683053 0.78 ACACB (0.56) ACACBKMT2ANPSR1ITGB3ITGA2B
SCHEMBL19683064 0.78 MMP12 (0.42) ITGB3ITGA2B
SCHEMBL24276124 0.78 MMP12 (0.42) —
SCHEMBL19682984 0.78 GRIA1 (0.45) ITGB3ITGA2B
SCHEMBL19683070 0.77 MMP12 (0.40) —
SCHEMBL19683213 0.77 ITGB3 (0.48) THRATHRBITGB3ITGA2B
SCHEMBL19682988 0.76 MMP12 (0.40) —
SCHEMBL19683081 0.76 ACACB (0.65) ACACBKMT2A

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-3464336-B1 COMPOUNDS ATHIRA PHARMA INC (US) 2022-03-16 — — EP disclosed
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