SCHEMBL31098846

SCHEMBL31098846

O=C(O)CCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FKBP4 Q02790 1/20 0.51
▸ SSTR3 P32745 1/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MME P08473 1/20 0.45
▸ FPR1 P21462 4/20 0.45
▸ FPR2 P25090 4/20 0.45
▸ MMP1 P03956 1/20 0.43
▸ FCER2 P06734 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL9680449 0.92 FKBP4 (0.55) FKBP4SSTR3MEN1KMT2ASMN1; SMN2
SCHEMBL28183355 0.85 MEN1 (0.56) FKBP4SSTR3MEN1KMT2ASMN1; SMN2
SCHEMBL14050124 0.84 FKBP4 (0.57) FKBP4SSTR3MEN1KMT2ASMN1; SMN2
SCHEMBL14050095 0.83 FKBP4 (0.60) FKBP4SSTR3MEN1KMT2ASMN1; SMN2
SCHEMBL1088355 0.82 MEN1 (0.48) FKBP4SSTR3MEN1KMT2ASMN1; SMN2
SCHEMBL2387136 0.82 SSTR3 (0.57) SSTR3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27355181 0.82 SSTR3 (0.57) SSTR3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10440798 0.80 SSTR3 (0.56) SSTR3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29740041 0.78 SSTR3 (0.59) SSTR3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1087418 0.77 MEN1 (0.43) FKBP4SSTR3MEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680762-A1 OSTOMY OUTPUT INDICATOR HOLLISTER INCORPORATED (US) 2026-01-21 — — EP claimed
WO-2024192383-A1 OSTOMY OUTPUT INDICATOR HOLLISTER INCORPORATED (US) 2024-09-19 — — WO claimed
EP-4680762-A1 OSTOMY OUTPUT INDICATOR HOLLISTER INCORPORATED (US) 2026-01-21 — — EP disclosed
WO-2024192383-A1 OSTOMY OUTPUT INDICATOR HOLLISTER INCORPORATED (US) 2024-09-19 — — WO disclosed
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