SCHEMBL8915288

SCHEMBL8915288

NC(P(=O)(O)O)P(=O)(O)OCCCCCCCCCC[S+]([O-])c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.33
ANPEP P15144 6/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ERAP1 Q9NZ08 2/20 0.32
ERAP2 Q6P179 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8917287 1.00 LAP3 (0.33) LAP3ANPEPHDAC3HDAC4HDAC1
SCHEMBL27366551 0.79 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8918704 0.75 HDAC1 (0.43) LAP3ANPEPHDAC3HDAC4HDAC1
SCHEMBL8916434 0.75 HDAC1 (0.43) LAP3ANPEPHDAC3HDAC4HDAC1
SCHEMBL8915544 0.71 CA9 (0.38) ANPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL8915283 0.69 FDPS (0.45) POLB
SCHEMBL8917274 0.69 FDPS (0.45) POLB
SCHEMBL8915532 0.68 CA9 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11368813 0.66 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18911558 0.65 MEN1 (0.39) LAP3ANPEPERAP1ERAP2

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-5624917-A Method of inhibiting squalene synthetase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-29 US claimed