SCHEMBL4112772

SCHEMBL4112772

C=P(O)(O)Cc1ccc(C(c2ccc(C)cc2)(c2ccc(CP(=O)(O)O)cc2)c2ccc(CP(=O)(O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 6/20 0.49
PGK2 P07205 6/20 0.49
ENPP2 Q13822 2/20 0.41
ACP3 P15309 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MMP8 P22894 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL916486 0.81 PGK1 (0.61) PGK1PGK2ENPP2TSHRLMNA
SCHEMBL11481753 0.79 PGK1 (0.59) PGK1PGK2ENPP2TSHRLMNA
SCHEMBL5037236 0.76 PGK1 (0.61) PGK1PGK2ENPP2ACP3ANPEP
SCHEMBL16353250 0.75 PGK1 (0.50) PGK1PGK2ENPP2TSHRLMNA
SCHEMBL240726 0.73 PGK1 (0.54) PGK1PGK2ENPP2ACP3ANPEP
SCHEMBL9186947 0.71 PGK1 (0.50) PGK1PGK2ENPP2TSHRLMNA
SCHEMBL18957749 0.71 ENPP2 (0.46) PGK1PGK2ENPP2TSHRLMNA
SCHEMBL1617420 0.71 PGK1 (0.67) PGK1PGK2ENPP2ACP3DGAT2
SCHEMBL2995687 0.69 PGK1 (0.72) PGK1PGK2ENPP2ACP3CA12
SCHEMBL9512473 0.68 PGK1 (0.56) PGK1PGK2ENPP2ACP3ANPEP

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-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed