SCHEMBL5870044

SCHEMBL5870044

CC(C)CC(NC(=O)NCCc1ccccc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.80
KMT2A Q03164 3/20 0.69
MEN1 O00255 1/20 0.69
TSHR P16473 1/20 0.69
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
PSMB2 P49721 1/20 0.63
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.56
MME P08473 1/20 0.56

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
SCHEMBL8255279 1.00 ANPEP (0.80) ANPEPKMT2AMEN1TSHRPSMB1
SCHEMBL5870605 0.88 ANPEP (0.74) ANPEPKMT2AMEN1TSHRPSMB1
SCHEMBL4770866 0.85 ANPEP (0.79) ANPEPPSMB5ALDH1A1LMNAMAPT
SCHEMBL4770883 0.85 ANPEP (0.79) ANPEPPSMB5ALDH1A1LMNAMAPT
SCHEMBL13700588 0.81 FOLH1 (0.78) KMT2AMEN1ALDH1A1LMNAMME
SCHEMBL13559325 0.80 NAALAD2 (0.68) ANPEPKMT2AMEN1TSHR
SCHEMBL13559296 0.80 NAALAD2 (0.68) ANPEPKMT2AMEN1TSHR
SCHEMBL7272374 0.79 MME (0.58) ANPEPMME
SCHEMBL8078351 0.79 MME (0.58) ANPEPMME
Levacetylleucine SCHEMBL8973550 0.79 ALDH1A1 (0.56) ANPEPKMT2AMEN1TSHRALDH1A1

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed