SCHEMBL8848898

SCHEMBL8848898

CCCc1cccc(OC#N)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
AR P10275 1/20 0.37
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ELANE P08246 1/20 0.31
PPARA Q07869 1/20 0.31
PPARD Q03181 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8848990 0.84 KDM4E (0.31) AR
SCHEMBL7569248 0.84 PTGS2 (0.48) LTB4RLTB4R2ALOX5PTGS2PPARA
SCHEMBL17060529 0.84 AR (0.46) LTB4RLTB4R2ARSLC6A2SLC6A4
SCHEMBL27816131 0.83 AR (0.37) LTB4RLTB4R2ARALOX5PTGS2
SCHEMBL28541193 0.81 LTB4R (0.44) LTB4RLTB4R2ARALOX5PTGS2
SCHEMBL8763456 0.77 GABRA1 (0.36) ARSLC6A2SLC6A4SLC6A3
SCHEMBL18784878 0.77 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2SLC6A2
SCHEMBL29263979 0.77 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2SLC6A2
SCHEMBL10880963 0.77 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2SLC6A2
SCHEMBL11615164 0.75 LTB4R (0.41) LTB4RLTB4R2ALOX5PTGS2SLC6A2

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
US-5623006-A HAVING GAP FILLED WITH CURED POLYCYANURATE BINDER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-04-22 US disclosed
US-5536765-A CYANATE TRIMERIZATION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-07-16 US disclosed
US-5468790-A Useful in forming interconnection structures for integrated semiconductor devices INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-11-21 US disclosed
EP-0604823-A1 Triazine polymer and use thereof International Business Machines Corporation (US) 1994-07-06 EP disclosed