SCHEMBL30919264

SCHEMBL30919264

CN(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.67
▸ ACE P12821 5/20 0.66
▸ POLB P06746 4/20 0.64
▸ P2RY14 Q15391 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ ITGB2 P05107 2/20 0.64
▸ ICAM1 P05362 2/20 0.64
▸ ITGAL P20701 2/20 0.64
▸ MME P08473 1/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ ECE1 P42892 3/20 0.61

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
SCHEMBL12205301 0.87 ALOX15 (0.60) ALOX15ACEPOLBP2RY14TP53
SCHEMBL10030546 0.87 ACE (0.71) ALOX15ACEPOLBP2RY14TP53
SCHEMBL30195982 0.86 ALOX15 (0.72) ALOX15ACEPOLBP2RY14TP53
SCHEMBL4184039 0.86 ALOX15 (0.72) ALOX15ACEPOLBP2RY14TP53
SCHEMBL4184041 0.86 ALOX15 (0.72) ALOX15ACEPOLBP2RY14TP53
SCHEMBL27552842 0.85 ALOX15 (0.74) ALOX15ACEPOLBP2RY14TP53
SCHEMBL27552844 0.85 ALOX15 (0.74) ALOX15ACEPOLBP2RY14TP53
SCHEMBL11382213 0.85 ALOX15 (0.70) ALOX15ACEPOLBP2RY14TP53
SCHEMBL11382215 0.85 ALOX15 (0.70) ALOX15ACEPOLBP2RY14TP53
SCHEMBL3388808 0.85 ALOX15 (0.60) ALOX15ACEPOLBP2RY14TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612124-A1 AZOTOMYCIN PRODRUGS WITH PREFERENTIAL TUMOR DELIVERY The Johns Hopkins University (US) 2025-09-10 — — EP claimed
WO-2024097320-A1 AZOTOMYCIN PRODRUGS WITH PREFERENTIAL TUMOR DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 — — WO claimed
Send feedback