SCHEMBL5869962

SCHEMBL5869962

COC(=O)C(Cc1cccc(-c2ccsc2)c1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CAPN1 P07384 1/20 0.42
HTR1A P08908 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL5869964 1.00 ANPEP (0.44) ANPEPHDAC1HDAC6CA12CA2
SCHEMBL5869969 1.00 ANPEP (0.44) ANPEPHDAC1HDAC6CA12CA2
SCHEMBL5869855 0.85 CTSK (0.46) ANPEPCA12CA2CA7CA9
SCHEMBL5869849 0.85 CTSK (0.46) ANPEPCA12CA2CA7CA9
SCHEMBL5869851 0.85 CTSK (0.46) ANPEPCA12CA2CA7CA9
SCHEMBL5870254 0.85 CTSK (0.44) HDAC1HDAC6CAPN1CTSKCTSL
SCHEMBL5870261 0.85 CTSK (0.44) HDAC1HDAC6CAPN1CTSKCTSL
SCHEMBL5870256 0.85 CTSK (0.44) HDAC1HDAC6CAPN1CTSKCTSL
SCHEMBL5870377 0.84 ANPEP (0.45) ANPEPCA12CA2CA7CA9
SCHEMBL5870383 0.84 ANPEP (0.45) ANPEPCA12CA2CA7CA9

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed