SCHEMBL673122

SCHEMBL673122

CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].CCCCCCC(C)[PH](=O)[O-].[Cr+3]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CA2 P00918 1/20 0.39
OPRM1 P35372 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
GGPS1 O95749 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL639496 0.96 CA1 (0.42) CA1ADH1BADH1CADH1AADH4
SCHEMBL148000 0.96 CA1 (0.42) CA1ADH1BADH1CADH1AADH4
SCHEMBL672387 0.96 OPRM1 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL7155239 0.86 CA2 (0.39) CA1CA2OPRM1FDPS
SCHEMBL1568031 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL9875869 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL9875648 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL8677881 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL16335202 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4
SCHEMBL9876087 0.76 ACE2 (0.44) CA1ADH1BADH1CADH1AADH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed
US-6465585-B2 REACTION PRODUCT OF A CHROMIUM CONTAINING COMPOUND, AN ORGANOMAGNESIUM COMPOUND AND A SILYL PHOSPHONATE BRIDGESTONE CORPORATION (JP) 2002-10-15 US disclosed