SCHEMBL30834728

SCHEMBL30834728

NC(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.52
▸ ACE P12821 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ NPEPPS P55786 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ OPRD1 P41143 5/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ FCER2 P06734 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 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
SCHEMBL29590571 0.95 OPRD1 (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL27906371 0.92 MME (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL14691645 0.92 MME (0.51) MMEACEALDH1A1HPGDMAPK1
SCHEMBL30659521 0.90 OPRD1 (0.52) MMEOPRD1OPRM1OPRK1CTSL
SCHEMBL29350735 0.89 OPRD1 (0.58) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29630437 0.89 BACE1 (0.45) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29679872 0.88 OPRD1 (0.52) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29630644 0.87 OPRD1 (0.54) MMEALDH1A1OPRD1OPRM1OPRK1
SCHEMBL7592909 0.87 NPY4R (0.53) —
SCHEMBL7592903 0.87 NPY4R (0.53) —

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
US-20240091375-A1 AN ANTIBODY FRAGMENT BASED ANTIMICROBIAL CONJUGATE SELECTIVELY TARGETING PSEUDOMONAS ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 — — US disclosed
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