SCHEMBL9626090

SCHEMBL9626090

CCCCCCCCCCCCC#CC=O.CCOC(C)OCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HMGCR P04035 6/20 0.37
PTPN7 P35236 4/20 0.36
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
TRPM8 Q7Z2W7 3/20 0.32

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
SCHEMBL9626655 1.00 LMNA (0.40) LMNAHMGCRPTPN7RECQLTDP1
SCHEMBL20471499 0.85 HMGCR (0.38) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL10892322 0.84 HMGCR (0.47) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL4130265 0.84 HMGCR (0.47) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL9625775 0.84 HMGCR (0.47) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL1399964 0.84 HMGCR (0.47) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL2395808 0.84 HMGCR (0.47) HMGCRPTPN7RECQLTDP1ADH1B
SCHEMBL477611 0.82
Butane SCHEMBL11802511 0.77 LMNA (0.44) LMNAHMGCRPTPN7RECQLTDP1
SCHEMBL953772 0.75

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 4 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
US-4988716-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1991-01-29 US disclosed
US-4798842-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1989-01-17 US disclosed
EP-0169033-A2 Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1986-01-22 EP disclosed