SCHEMBL9626686

SCHEMBL9626686

CCCCCCCCCCCCC#CC(O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.58
PTPN7 P35236 4/20 0.44
GPR84 Q9NQS5 3/20 0.42
SPHK1 Q9NYA1 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL6125719 0.93 HMGCR (0.51) HMGCRGPR84SPHK1FFAR1LMNA
SCHEMBL736276 0.92 HMGCR (0.53) HMGCRSPHK1LMNA
SCHEMBL6137642 0.91 HMGCR (0.51) HMGCRPTPN7GPR84SPHK1FFAR1
Acetic Acid SCHEMBL10540684 0.91 HMGCR (0.63) HMGCRPTPN7GPR84FFAR1
SCHEMBL6137648 0.91 HMGCR (0.51) HMGCRPTPN7GPR84SPHK1FFAR1
SCHEMBL31682154 0.87 HMGCR (0.46) HMGCRPTPN7
SCHEMBL10912609 0.87 HMGCR (0.46) HMGCRPTPN7
SCHEMBL12003762 0.86 HMGCR (0.45) HMGCRPTPN7
SCHEMBL10540678 0.86 HMGCR (0.81) HMGCRPTPN7GPR84FFAR1
SCHEMBL10540677 0.86 HMGCR (0.81) HMGCRPTPN7GPR84FFAR1

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
EP-0169033-B1 INHIBITORS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS SCHERING CORPORATION (US) 1992-02-12 EP disclosed
EP-0169033-A2 Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1986-01-22 EP disclosed