SCHEMBL7188026

SCHEMBL7188026

CCCCCCC(C)C(O[PH2]=O)C(CC)CCCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.34
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.31
ACE2 Q9BYF1 1/20 0.31
OPRM1 P35372 1/20 0.31
FDPS P14324 4/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30
GPR84 Q9NQS5 2/20 0.30

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
SCHEMBL1995547 0.79 SMPD1 (0.56) SMPD1FDPS
SCHEMBL672778 0.78 SMPD1 (0.39) SMPD1CA2FDPS
SCHEMBL4185332 0.78 SMPD1 (0.54) SMPD1FDPS
SCHEMBL5390217 0.74 DNM1 (0.35) SMPD1CA2DNM1ACE2OPRM1
SCHEMBL18608161 0.72 OPRM1 (0.44) SMPD1ADH1BADH1CADH1AADH4
SCHEMBL26770475 0.72 OPRM1 (0.44) SMPD1ADH1BADH1CADH1AADH4
SCHEMBL20746369 0.72 DNM1 (0.50) SMPD1CA2DNM1OPRM1FDPS
SCHEMBL20746325 0.72 DNM1 (0.50) SMPD1CA2DNM1OPRM1FDPS
SCHEMBL8581150 0.72 CA2 (0.33) CA2
SCHEMBL28846487 0.72 TSHR (0.50) SMPD1DNM1OPRM1FDPSGPR84

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-20030166802-A1 Polymerization process for preparing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2003-09-04 US disclosed