SCHEMBL6889688

SCHEMBL6889688

O=P(O)(O)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTK2B Q14289 2/20 0.41
ALPG P10696 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
BCAT2 O15382 1/20 0.39
NPC1 O15118 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL563975 0.91 POLB (0.47) POLBKDM4ECA2CA4CA5A
SCHEMBL30729584 0.88 ACP3 (0.47) POLBKDM4ECA2CA4CA5A
SCHEMBL4956835 0.87 CA2 (0.48) POLBKDM4ECA2CA4CA5A
Phosphoric Acid SCHEMBL242260 0.84 ALDH1A1 (0.50) CA2CA4CA5AALDH1A1HPGD
SCHEMBL3360430 0.84 HNF4A (0.43) POLBKDM4ECA2CA4CA5A
Propane SCHEMBL28351173 0.84 POLB (0.42) POLBKDM4ECA2CA4CA5A
Phosphoric Acid SCHEMBL1281473 0.82 ALDH1A1 (0.52) CA2CA4CA5AALDH1A1HPGD
Phosphoric Acid SCHEMBL29542627 0.82 ALDH1A1 (0.52) CA2CA4CA5AALDH1A1HPGD
SCHEMBL874792 0.80 HNF4A (0.43) POLBKDM4ECA2CA4CA5A
SCHEMBL4956839 0.80 POLB (0.42) POLBKDM4ECA2CA4CA5A

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-6764758-B1 Surface-modified layer system UNIVERSITAT HEIDELBERG (DE) 2004-07-20 US disclosed