SCHEMBL7797335

SCHEMBL7797335

CCCCCCCCCCCCCC(OCCCCCCCCCc1ccccc1)C(O)S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
TRPA1 O75762 1/20 0.40
CNR2 P34972 1/20 0.40
RARB P10826 3/20 0.40

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
SCHEMBL22922951 0.85 KCNH2 (0.47) CSNK1EKCNH2HTR2APTGESALOX5
SCHEMBL25065427 0.85 KCNH2 (0.47) CSNK1EKCNH2HTR2APTGESALOX5
SCHEMBL7797230 0.83 DNM1 (0.41)
SCHEMBL7800317 0.83 DNM1 (0.41)
SCHEMBL7797168 0.83 DNM1 (0.41)
SCHEMBL7797176 0.83 DNM1 (0.41)
SCHEMBL7797326 0.83 DNM1 (0.41)
SCHEMBL7797224 0.83 DNM1 (0.41)
SCHEMBL7797262 0.83 DNM1 (0.41)
SCHEMBL7797266 0.83 DNM1 (0.41)

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-0854708-B1 LIPID ALCOHOLS AS NEW IMMUNOSUPPRESSIVE AND ANTIVIRAL DRUGS HEIDELBERG PHARMA HOLDING GMBH (DE) 2001-12-12 EP disclosed
US-6177469-B1 ANTIUTOR AGENTS; AUTOIMMUNE DISEASES HEIDELBERG PHARMA HOLDING GMBH (DE) 2001-01-23 US disclosed