SCHEMBL7953518

SCHEMBL7953518

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.49
▸ ACE P12821 3/20 0.45
▸ CTSD P07339 1/20 0.45
▸ OPRD1 P41143 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ MME P08473 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPEPPS P55786 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL11306078 0.98 ACE (0.47) BACE1ACEOPRD1OPRM1OPRK1
SCHEMBL11306085 0.98 ACE (0.47) BACE1ACEOPRD1OPRM1OPRK1
SCHEMBL29662320 0.92 OPRD1 (0.48) ACEOPRD1OPRM1OPRK1MME
SCHEMBL25389470 0.92 CTSC (0.48) ACEOPRD1OPRM1OPRK1MME
SCHEMBL25389475 0.92 CTSC (0.48) ACEOPRD1OPRM1OPRK1MME
SCHEMBL30751950 0.89 NAALAD2 (0.51) ACEOPRD1OPRM1OPRK1MME
SCHEMBL31474554 0.88 BACE1 (0.56) BACE1CTSDMME
SCHEMBL29590749 0.88 OPRD1 (0.48) BACE1OPRD1OPRM1OPRK1
SCHEMBL31094953 0.87 NAALAD2 (0.60) BACE1CTSD
SCHEMBL30578452 0.87 OPRD1 (0.50) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068295-A1 CELL DIFFERENTIATION/PROLIFERATION AND MAINTENANCE FACTOR AND USES THEREOF BresaGen Limited (AU) 2001-01-17 — — EP disclosed
WO-1999053021-A9 CELL DIFFERENTIATION/PROLIFERATION AND MAINTENANCE FACTOR AND USES THEREOF BRESAGEN LTD (AU) 2000-05-04 — — WO disclosed
WO-1999053021-A1 CELL DIFFERENTIATION/PROLIFERATION AND MAINTENANCE FACTOR AND USES THEREOF BRESAGEN LIMITED (AU) 1999-10-21 — — WO disclosed
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