SCHEMBL8728627

SCHEMBL8728627

CCCCCCCCCCCCC(NC(c1ccccc1)c1ccccc1)[P@](=O)(O)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CETP P11597 3/20 0.42
NAAA Q02083 2/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6659004 0.99 POLB (0.43) POLBCETPNPSR1KMT2A
SCHEMBL6664553 0.95 POLB (0.44) POLBCETPNPSR1KMT2A
SCHEMBL6662510 0.90 POLB (0.47) POLBNPSR1KMT2A
SCHEMBL6665628 0.85 FDPS (0.44) CETPNAAANPSR1
SCHEMBL6665624 0.85 FDPS (0.44) CETPNAAANPSR1
SCHEMBL6658782 0.84 NPSR1 (0.43) POLBNAAANPSR1SMN1; SMN2
SCHEMBL6658790 0.84 NPSR1 (0.43) POLBNAAANPSR1SMN1; SMN2
SCHEMBL6667602 0.84 POLB (0.49) POLBNPSR1KMT2ASMN1; SMN2
SCHEMBL6665819 0.81 GAA (0.40) POLBCETPNAAAPRSS1CTSG
SCHEMBL6659003 0.79 GAA (0.40) POLBNAAAPRSS1CTSGCTRB1

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
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP claimed